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
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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
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7RWI
 | | Mycobacterium tuberculosis RNA polymerase sigma L holoenzyme open promoter complex containing TNP-2198 | | Descriptor: | (3aM,9S,10bP,14S,15R,16S,17R,18R,19R,20S,21S,25R)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Molodtsov, V, Ebright, R.H. | | Deposit date: | 2021-08-19 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Design, Synthesis, and Characterization of TNP-2198, a Dual-Targeted Rifamycin-Nitroimidazole Conjugate with Potent Activity against Microaerophilic and Anaerobic Bacterial Pathogens.
J.Med.Chem., 65, 2022
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7YG1
 | | Cryo-EM structure of the C-terminal domain of the human sodium-chloride cotransporter | | Descriptor: | Solute carrier family 12 member 3 | | Authors: | Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q. | | Deposit date: | 2022-07-09 | | Release date: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
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7YG0
 | | Cryo-EM structure of human sodium-chloride cotransporter | | Descriptor: | Solute carrier family 12 member 3 | | Authors: | Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q. | | Deposit date: | 2022-07-09 | | Release date: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
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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
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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
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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
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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
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8WGV
 | | BA.2(S375) Spike (S6P)/hACE2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Wei, X, Zhang, Z. | | Deposit date: | 2023-09-22 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
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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
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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
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6N3I
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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
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6OG4
 | | plasminogen binding group A streptococcal M protein | | Descriptor: | Plasminogen, Plasminogen-binding group A streptococcal M-like protein PAM, SULFATE ION | | Authors: | Law, R.H.P, Quek, A.J, Whisstock, J.C, Caradoc-Davies, T.T. | | Deposit date: | 2019-04-01 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and Function Characterization of the a1a2 Motifs of Streptococcus pyogenes M Protein in Human Plasminogen Binding.
J.Mol.Biol., 431, 2019
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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
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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
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5GYQ
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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
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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
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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
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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
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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
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8CVN
 | | Cryo-EM Structure of Human 15-PGDH in Complex with Small Molecule SW209415 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine | | Authors: | Huang, W, Taylor, D.J. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-01 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
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8CWL
 | | Cryo-EM structure of Human 15-PGDH in complex with small molecule SW222746 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one | | Authors: | Huang, W, Taylor, D.J. | | Deposit date: | 2022-05-19 | | Release date: | 2023-03-08 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
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