6T8M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t8m by Molmil](/molmil-images/mine/6t8m) | Prolyl Hydroxylase (PHD) involved in hypoxia sensing by Dictyostelium discoideum | Descriptor: | CHLORIDE ION, GLYCEROL, N-OXALYLGLYCINE, ... | Authors: | Chowdhury, R, McDonough, M.A, Liu, T, Clifton, I.J, Schofield, C.J. | Deposit date: | 2019-10-24 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Biochemical and biophysical analyses of hypoxia sensing prolyl hydroxylases from Dictyostelium discoideum and Toxoplasma gondii . J.Biol.Chem., 295, 2020
|
|
3OUI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oui by Molmil](/molmil-images/mine/3oui) | PHD2-R717 with 40787422 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Egl nine homolog 1, ... | Authors: | Arakaki, T.L, Kim, H. | Deposit date: | 2010-09-14 | Release date: | 2010-12-01 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues. ACS Med Chem Lett, 1, 2010
|
|
6TQJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tqj by Molmil](/molmil-images/mine/6tqj) | Crystal structure of the c14 ring of the F1FO ATP synthase from spinach chloroplast | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ATP synthase subunit c, chloroplastic, ... | Authors: | Kovalev, K, Gushchin, I, Vlasov, A, Round, E, Polovinkin, V, Gordeliy, V. | Deposit date: | 2019-12-16 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Unusual features of the c-ring of F1FOATP synthases. Sci Rep, 9, 2019
|
|
3OUZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ouz by Molmil](/molmil-images/mine/3ouz) | Crystal Structure of Biotin Carboxylase-ADP complex from Campylobacter jejuni | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Biotin carboxylase, D-MALATE, ... | Authors: | Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-09-15 | Release date: | 2010-10-13 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Crystal Structure of Biotin Carboxylase-ADP complex from Campylobacter jejuni TO BE PUBLISHED
|
|
3P5V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p5v by Molmil](/molmil-images/mine/3p5v) | Actinidin from Actinidia arguta planch (Sarusashi) | Descriptor: | Actinidin, CADMIUM ION | Authors: | Manickam, Y, Nirmal, N, Suzuki, A, Sugiyama, Y, Yamane, T, Devadasan, V, Sharma, A. | Deposit date: | 2010-10-11 | Release date: | 2010-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of actinidin and a comparison of cadmium and sulfur anomalous signals from actinidin crystals measured using in-house copper- and chromium-anode X-ray sources Acta Crystallogr.,Sect.D, 66, 2010
|
|
5NRA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nra by Molmil](/molmil-images/mine/5nra) | Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7g | Descriptor: | 1-(5-azanyl-4~{H}-1,2,4-triazol-3-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methylpropyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL | Authors: | Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A. | Deposit date: | 2017-04-22 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.267 Å) | Cite: | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma. J. Med. Chem., 61, 2018
|
|
5O36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o36 by Molmil](/molmil-images/mine/5o36) | Japanese encephalitis virus non-structural protein 1' C-terminal domain | Descriptor: | Japanese encephalitis virus non-structural protein 1' (NS1'),Japanese encephalitis virus non-structural protein 1' (NS1'), N-PROPANOL, SULFATE ION | Authors: | Thanalai, P, Wright, G.S.A, Antonyuk, S.V. | Deposit date: | 2017-05-23 | Release date: | 2018-01-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Study of the C-Terminal Domain of Nonstructural Protein 1 from Japanese Encephalitis Virus. J. Virol., 92, 2018
|
|
3ONW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3onw by Molmil](/molmil-images/mine/3onw) | Structure of a G-alpha-i1 mutant with enhanced affinity for the RGS14 GoLoco motif. | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, Regulator of G-protein signaling 14, ... | Authors: | Bosch, D, Kimple, A.J, Sammond, D.W, Miley, M.J, Machius, M, Kuhlman, B, Willard, F.S, Siderovski, D.P. | Deposit date: | 2010-08-30 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural Determinants of Affinity Enhancement between GoLoco Motifs and G-Protein {alpha} Subunit Mutants. J.Biol.Chem., 286, 2011
|
|
5NSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nse by Molmil](/molmil-images/mine/5nse) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, HYDROXY-ARG COMPLEX | Descriptor: | ACETATE ION, CACODYLIC ACID, GLYCEROL, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-01-13 | Release date: | 2002-05-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of the Heme Domain of Bovine Endothelial Nitric Oxide Synthase Complexed with Arginine Analogues To be Published
|
|
6U5T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u5t by Molmil](/molmil-images/mine/6u5t) | |
3PID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pid by Molmil](/molmil-images/mine/3pid) | The apo-form UDP-glucose 6-dehydrogenase with a C-terminal six-histidine tag | Descriptor: | UDP-glucose 6-dehydrogenase | Authors: | Chen, Y.-Y, Ko, T.-P, Lin, C.-H, Chen, W.-H, Wang, A.H.-J. | Deposit date: | 2010-11-06 | Release date: | 2011-09-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Conformational change upon product binding to Klebsiella pneumoniae UDP-glucose dehydrogenase: a possible inhibition mechanism for the key enzyme in polymyxin resistance. J.Struct.Biol., 175, 2011
|
|
5O9W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o9w by Molmil](/molmil-images/mine/5o9w) | Thebaine 6-O-demethylase (T6ODM) from Papaver somniferum in complex with 2-oxoglutarate | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kluza, A, Niedzialkowska, E, Kurpiewska, K, Porebski, P.J, Borowski, T. | Deposit date: | 2017-06-20 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway. J. Struct. Biol., 202, 2018
|
|
6U36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u36 by Molmil](/molmil-images/mine/6u36) | PCSK9 in complex with a Fab and compound 14 | Descriptor: | 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Lu, J, Soisson, S. | Deposit date: | 2019-08-21 | Release date: | 2019-11-06 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9. Cell Chem Biol, 27, 2020
|
|
5NB4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nb4 by Molmil](/molmil-images/mine/5nb4) | Atomic resolution structure of C-phycoerythrin from marine cyanobacterium Phormidium sp. A09DM at pH 7.5 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, HYDROGENPHOSPHATE ION, ... | Authors: | Sonani, R.R, Roszak, A.W, Ortmann de Percin Northumberland, C, Madamwar, D, Cogdell, R.J. | Deposit date: | 2017-03-01 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | An improved crystal structure of C-phycoerythrin from the marine cyanobacterium Phormidium sp. A09DM. Photosyn. Res., 135, 2018
|
|
6U5U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u5u by Molmil](/molmil-images/mine/6u5u) | |
5NAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nag by Molmil](/molmil-images/mine/5nag) | |
6U9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u9n by Molmil](/molmil-images/mine/6u9n) | MLL1 SET N3861I/Q3867L bound to inhibitor 14 (TC-5139) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
|
|
5MZI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mzi by Molmil](/molmil-images/mine/5mzi) | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid | Descriptor: | 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rowland, P. | Deposit date: | 2017-01-31 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis. J. Med. Chem., 60, 2017
|
|
3QI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qi2 by Molmil](/molmil-images/mine/3qi2) | A Galpha P-loop mutation prevents transition to the activated state: G42R bound to RGS14 GoLoco | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Bosch, D.E, Willard, F.S, Kimple, A.J, Miley, M.J, Siderovski, D.P. | Deposit date: | 2011-01-26 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | A P-loop Mutation in Galpha Subunits Prevents Transition to the Active State: Implications for G-protein Signaling in Fungal Pathogenesis Plos Pathog., 8, 2012
|
|
6UM8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6um8 by Molmil](/molmil-images/mine/6um8) | HIV Integrase in complex with Compound-14 | Descriptor: | (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, DI(HYDROXYETHYL)ETHER, Integrase, ... | Authors: | Khan, J.A, Kish, K. | Deposit date: | 2019-10-09 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors. J.Med.Chem., 63, 2020
|
|
3PIU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3piu by Molmil](/molmil-images/mine/3piu) | |
6U30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u30 by Molmil](/molmil-images/mine/6u30) | The crystal structure of 4-pyridin-3-ylbenzoate-bound CYP199A4 | Descriptor: | 4-(pyridin-3-yl)benzoic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-08-21 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.655 Å) | Cite: | Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases. Biochemistry, 59, 2020
|
|
3Q3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q3m by Molmil](/molmil-images/mine/3q3m) | Toluene 4 monooxygenase HD Complex with Inhibitor 4-Bromobenzoate | Descriptor: | 4-bromobenzoic acid, FE (III) ION, Toluene-4-monooxygenase system protein A, ... | Authors: | Acheson, J.F, Bailey, L.J, Fox, B.G. | Deposit date: | 2010-12-22 | Release date: | 2011-12-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | Crystallographic analysis of active site contributions to regiospecificity in the diiron enzyme toluene 4-monooxygenase. Biochemistry, 51, 2012
|
|
6U5V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u5v by Molmil](/molmil-images/mine/6u5v) | |
5M8N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m8n by Molmil](/molmil-images/mine/5m8n) | Crystal structure of human tyrosinase related protein 1 in complex with mimosine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lai, X, Soler-Lopez, M, Wichers, H.J, Dijkstra, B.W. | Deposit date: | 2016-10-29 | Release date: | 2017-07-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|