5IHC
| MELK in complex with NVS-MELK12B | Descriptor: | 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R, Brazell, T. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
|
|
5IHA
| MELK in complex with NVS-MELK8F | Descriptor: | 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R, Brazell, T. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
|
|
5IH8
| MELK in complex with NVS-MELK1 | Descriptor: | Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide | Authors: | Sprague, E.R, Puleo, D.E. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
|
|
5IH9
| MELK in complex with NVS-MELK8A | Descriptor: | 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R, Puleo, D.E. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
|
|
5ITI
| A cynobacterial PP2C (tPphA) structure | Descriptor: | CALCIUM ION, Protein serin-threonin phosphatase | Authors: | Su, J.Y. | Deposit date: | 2016-03-16 | Release date: | 2016-05-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition Catalysts, 6, 2016
|
|
5JHL
| Crystal structure of zika virus envelope protein in complex with a flavivirus broadly-protective antibody | Descriptor: | Antibody Heavy chain, antibody Light chain, envelope protein | Authors: | Dai, L, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2016-04-21 | Release date: | 2016-05-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of the Zika Virus Envelope Protein and Its Complex with a Flavivirus Broadly Protective Antibody. Cell Host Microbe, 19, 2016
|
|
5GYQ
| |
5HJS
| Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | Descriptor: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ... | Authors: | Parthasarathy, G, Klein, D. | Deposit date: | 2016-01-13 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease. J.Med.Chem., 59, 2016
|
|
5HJP
| Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | Descriptor: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ... | Authors: | Parthasarathy, G, Klein, D. | Deposit date: | 2016-01-13 | Release date: | 2016-04-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease. J.Med.Chem., 59, 2016
|
|
5BOA
| Crystal Structure of the Meningitis Pathogen Streptococcus suis adhesion Fhb bound to the disaccharide receptor Gb2 | Descriptor: | Translation initiation factor 2 (IF-2 GTPase), alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose | Authors: | Zhang, C, Yu, Y, Yang, M, Jiang, Y. | Deposit date: | 2015-05-27 | Release date: | 2016-05-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.708 Å) | Cite: | Structural basis of the interaction between the meningitis pathogen Streptococcus suis adhesin Fhb and its human receptor. Febs Lett., 590, 2016
|
|
5D2U
| Crystal structure of tPphA Variant - H39A | Descriptor: | CALCIUM ION, Protein serin-threonin phosphatase | Authors: | Su, J. | Deposit date: | 2015-08-06 | Release date: | 2016-05-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition Catalysts, 2016
|
|
8XRV
| The crystal structure of a GH3 enzyme CcBgl3B with glucose | Descriptor: | CALCIUM ION, GH3 enzyme CcBgl3B, beta-D-glucopyranose | Authors: | Su, J.Y. | Deposit date: | 2024-01-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
|
|
8XRT
| The crystal structure of a GH3 enzyme CcBgl3B | Descriptor: | CALCIUM ION, GH3 enzyme CcBgl3B | Authors: | Su, J.Y. | Deposit date: | 2024-01-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
|
|
8XRU
| The crystal structure of a GH3 enzyme CcBgl3B with glycerol | Descriptor: | CALCIUM ION, GH3 enzyme CcBgl3B, GLYCEROL | Authors: | Su, J.Y. | Deposit date: | 2024-01-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
|
|
8XRX
| The crystal structure of a GH3 enzyme CcBgl3B with glucose and gentiobiose | Descriptor: | CALCIUM ION, GH3 enzyme CcBgl3B, alpha-D-glucopyranose, ... | Authors: | Su, J.Y. | Deposit date: | 2024-01-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
|
|
8K6L
| Cryo-EM structure of human OATP1B1 in complex with DCF | Descriptor: | 2',7'-bis(chloranyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shan, Z, Yang, X, Zhang, Y. | Deposit date: | 2023-07-25 | Release date: | 2023-09-13 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Cryo-EM structures of human organic anion transporting polypeptide OATP1B1. Cell Res., 33, 2023
|
|
6M2L
| Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with C3361 | Descriptor: | (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Hexose transporter 1 | Authors: | Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N. | Deposit date: | 2020-02-27 | Release date: | 2020-09-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum. Cell, 183, 2020
|
|
6M20
| Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with glucose | Descriptor: | Hexose transporter 1, beta-D-glucopyranose, nonyl beta-D-glucopyranoside | Authors: | Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N. | Deposit date: | 2020-02-26 | Release date: | 2020-09-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum. Cell, 183, 2020
|
|
7SPT
| Crystal structure of exofacial state human glucose transporter GLUT3 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ... | Authors: | Wang, N, Jiang, X, Yan, N. | Deposit date: | 2021-11-03 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis for inhibiting human glucose transporters by exofacial inhibitors. Nat Commun, 13, 2022
|
|
7SPS
| Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ... | Authors: | Wang, N, Jiang, X, Yan, N. | Deposit date: | 2021-11-03 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis for inhibiting human glucose transporters by exofacial inhibitors. Nat Commun, 13, 2022
|
|
3WXX
| Crystal Structure of a T3SS complex from Aeromonas hydrophila | Descriptor: | AcrH, AopB, MAGNESIUM ION | Authors: | Nguyen, V.S, Jobichen, C, Sivaraman, J, Henry, Y.K.M. | Deposit date: | 2014-08-12 | Release date: | 2015-10-14 | Last modified: | 2015-11-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of AcrH-AopB Chaperone-Translocator Complex Reveals a Role for Membrane Hairpins in Type III Secretion System Translocon Assembly Structure, 23, 2015
|
|
5CAJ
| Crystal structure of E. coli YaaA, a member of the DUF328/UPF0246 family | Descriptor: | BENZAMIDINE, CHLORIDE ION, UPF0246 protein YaaA | Authors: | Prahlad, J, Lin, J, Wilson, M.A. | Deposit date: | 2015-06-29 | Release date: | 2016-02-24 | Last modified: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The DUF328 family member YaaA is a DNA-binding protein with a novel fold. J.Biol.Chem., 295, 2020
|
|
7EN8
| Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04 | Descriptor: | 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide | Authors: | Hou, N, Peng, C, Hu, Q. | Deposit date: | 2021-04-16 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro. Acs Cent.Sci., 9, 2023
|
|
7END
| |
7ENE
| |