8K6L
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![BU of 8k6l by Molmil](/molmil-images/mine/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
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6OG4
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![BU of 6og4 by Molmil](/molmil-images/mine/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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4QZV
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![BU of 4qzv by Molmil](/molmil-images/mine/4qzv) | Bat-derived coronavirus HKU4 uses MERS-CoV receptor human CD26 for cell entry | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | Authors: | Gao, F.G, Wang, Q.H, Qi, J.X, Lu, G.W. | Deposit date: | 2014-07-29 | Release date: | 2014-10-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.592 Å) | Cite: | Bat Origins of MERS-CoV Supported by Bat Coronavirus HKU4 Usage of Human Receptor CD26. Cell Host Microbe, 16, 2014
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5BOA
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![BU of 5boa by Molmil](/molmil-images/mine/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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5IHC
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![BU of 5ihc by Molmil](/molmil-images/mine/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
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![BU of 5iha by Molmil](/molmil-images/mine/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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5IH8
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![BU of 5ih8 by Molmil](/molmil-images/mine/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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5IH9
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![BU of 5ih9 by Molmil](/molmil-images/mine/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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7RWI
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![BU of 7rwi by Molmil](/molmil-images/mine/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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5ITI
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![BU of 5iti by Molmil](/molmil-images/mine/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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5HJS
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![BU of 5hjs by Molmil](/molmil-images/mine/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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5JHL
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![BU of 5jhl by Molmil](/molmil-images/mine/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
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5JHM
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![BU of 5jhm by Molmil](/molmil-images/mine/5jhm) | |
5HJP
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![BU of 5hjp by Molmil](/molmil-images/mine/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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5GYQ
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![BU of 5gyq by Molmil](/molmil-images/mine/5gyq) | |
5CAJ
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![BU of 5caj by Molmil](/molmil-images/mine/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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5K00
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![BU of 5k00 by Molmil](/molmil-images/mine/5k00) | MELK in complex with NVS-MELK5 | Descriptor: | 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide, Maternal embryonic leucine zipper kinase | Authors: | Sprague, E.R. | Deposit date: | 2016-05-17 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | "Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors. J. Med. Chem., 60, 2017
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7SPT
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![BU of 7spt by Molmil](/molmil-images/mine/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
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![BU of 7sps by Molmil](/molmil-images/mine/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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8FD8
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![BU of 8fd8 by Molmil](/molmil-images/mine/8fd8) | human 15-PGDH with NADH bound | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | Authors: | Huang, W, Taylor, D. | Deposit date: | 2022-12-02 | Release date: | 2023-03-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system. Nat Commun, 14, 2023
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3WXX
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![BU of 3wxx by Molmil](/molmil-images/mine/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
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8CVN
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![BU of 8cvn by Molmil](/molmil-images/mine/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
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![BU of 8cwl by Molmil](/molmil-images/mine/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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8WGV
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![BU of 8wgv by Molmil](/molmil-images/mine/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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8WGW
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![BU of 8wgw by Molmil](/molmil-images/mine/8wgw) | Local refinement of RBD-ACE2 | 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 (2.9 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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