8TPC
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![BU of 8tpc by Molmil](/molmil-images/mine/8tpc) | Synthesis, X-Ray Crystallographic and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease | Descriptor: | N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide, Non-structural protein 7 | Authors: | Chua, T.K, Song, Y. | Deposit date: | 2023-08-04 | Release date: | 2024-01-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Design, Synthesis, X-ray Crystallography, and Biological Activities of Covalent, Non-Peptidic Inhibitors of SARS-CoV-2 Main Protease. Acs Infect Dis., 10, 2024
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6LJQ
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![BU of 6ljq by Molmil](/molmil-images/mine/6ljq) | human galectin-16 R55N | Descriptor: | Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J. | Deposit date: | 2019-12-17 | Release date: | 2020-10-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity. Biochim Biophys Acta Gen Subj, 1865, 2020
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6LJP
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![BU of 6ljp by Molmil](/molmil-images/mine/6ljp) | Crystal structure of human galectin-16 | Descriptor: | Galectin-16 | Authors: | Su, J. | Deposit date: | 2019-12-17 | Release date: | 2020-10-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity. Biochim Biophys Acta Gen Subj, 1865, 2020
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6LJR
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![BU of 6ljr by Molmil](/molmil-images/mine/6ljr) | human galectin-16 R55N/H57R | Descriptor: | Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J. | Deposit date: | 2019-12-17 | Release date: | 2020-10-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity. Biochim Biophys Acta Gen Subj, 1865, 2020
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4L07
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![BU of 4l07 by Molmil](/molmil-images/mine/4l07) | Crystal structure of the maleamate amidase Ami from Pseudomonas putida S16 | Descriptor: | GLYCEROL, Hydrolase, isochorismatase family, ... | Authors: | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | Deposit date: | 2013-05-30 | Release date: | 2014-07-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases. Mol.Microbiol., 91, 2014
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4L08
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![BU of 4l08 by Molmil](/molmil-images/mine/4l08) | Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from Pseudomonas putida S16 | Descriptor: | Hydrolase, isochorismatase family, MALEIC ACID | Authors: | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | Deposit date: | 2013-05-31 | Release date: | 2014-07-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases. Mol.Microbiol., 91, 2014
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6KPP
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![BU of 6kpp by Molmil](/molmil-images/mine/6kpp) | BNC105 in complex with tubulin | Descriptor: | (6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, T, Wu, C, Pu, D. | Deposit date: | 2019-08-15 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.74524117 Å) | Cite: | Unraveling the molecular mechanism of BNC105, a phase II clinical trial vascular disrupting agent, provides insights into drug design. Biochem.Biophys.Res.Commun., 2020
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6LDQ
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![BU of 6ldq by Molmil](/molmil-images/mine/6ldq) | |
6O5E
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![BU of 6o5e by Molmil](/molmil-images/mine/6o5e) | Crystal structure of the Vitronectin hemopexin-like domain | Descriptor: | CHLORIDE ION, IMIDAZOLE, NITRATE ION, ... | Authors: | Lechtenberg, B.C, Shin, K, Marassi, F.M. | Deposit date: | 2019-03-01 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail. Sci Adv, 5, 2019
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4GAE
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![BU of 4gae by Molmil](/molmil-images/mine/4gae) | Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, ... | Authors: | Diao, J, Xue, J, Cai, G, Deng, L, Song, Y. | Deposit date: | 2012-07-25 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase. ACS Med Chem Lett, 4, 2013
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5GSX
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![BU of 5gsx by Molmil](/molmil-images/mine/5gsx) | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-2 | Descriptor: | 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-17 | Release date: | 2017-06-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
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5GSV
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![BU of 5gsv by Molmil](/molmil-images/mine/5gsv) | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-5 | Descriptor: | 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-17 | Release date: | 2017-04-26 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
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5GSR
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![BU of 5gsr by Molmil](/molmil-images/mine/5gsr) | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide I5A | Descriptor: | 9-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-17 | Release date: | 2017-04-26 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
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5GR7
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![BU of 5gr7 by Molmil](/molmil-images/mine/5gr7) | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-1 | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-08 | Release date: | 2017-06-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
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5GSB
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![BU of 5gsb by Molmil](/molmil-images/mine/5gsb) | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-3 | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-15 | Release date: | 2017-07-12 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
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4GOS
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![BU of 4gos by Molmil](/molmil-images/mine/4gos) | Crystal structure of human B7-H4 IgV-like domain | Descriptor: | V-set domain-containing T-cell activation inhibitor 1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Vigdorovich, V, Ramagopal, U, Bhosle, R, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2012-08-20 | Release date: | 2012-09-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structure and cancer immunotherapy of the B7 family member B7x. Cell Rep, 9, 2014
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8GU4
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![BU of 8gu4 by Molmil](/molmil-images/mine/8gu4) | Poly(ethylene terephthalate) hydrolase (IsPETase)-linker | Descriptor: | Poly(ethylene terephthalate) hydrolase | Authors: | Xiao, Y.J, Wang, Z.F. | Deposit date: | 2022-09-09 | Release date: | 2022-11-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin. Nat Commun, 13, 2022
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8GU5
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![BU of 8gu5 by Molmil](/molmil-images/mine/8gu5) | Wild type poly(ethylene terephthalate) hydrolase | Descriptor: | Poly(ethylene terephthalate) hydrolase | Authors: | Xiao, Y.J, Wang, Z.F. | Deposit date: | 2022-09-09 | Release date: | 2022-11-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin. Nat Commun, 13, 2022
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7ND1
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![BU of 7nd1 by Molmil](/molmil-images/mine/7nd1) | First-in-class small molecule inhibitors of Polycomb Repressive Complex 1 (PRC1) RING domain | Descriptor: | 3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid, E3 ubiquitin-protein ligase RING2, Polycomb complex protein BMI-1, ... | Authors: | Cierpicki, T, Lund, G, Jaremko, L. | Deposit date: | 2021-01-29 | Release date: | 2021-06-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Small-molecule inhibitors targeting Polycomb repressive complex 1 RING domain. Nat.Chem.Biol., 17, 2021
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8HJT
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![BU of 8hjt by Molmil](/molmil-images/mine/8hjt) | Crystal Structure of Intracellular B30.2 Domain of VpBTN3 and VpBTN2 in Complex with HMBPP | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Butyrophylin 3, ... | Authors: | Yang, Y.Y, Shen, P.P, Li, X, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-11-23 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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2MKV
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![BU of 2mkv by Molmil](/molmil-images/mine/2mkv) | |
8SD2
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![BU of 8sd2 by Molmil](/molmil-images/mine/8sd2) | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4 | Descriptor: | (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kadam, R.U, Zhu, X.Y, Wilson, I.A. | Deposit date: | 2023-04-06 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8SD4
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![BU of 8sd4 by Molmil](/molmil-images/mine/8sd4) | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7 | Descriptor: | (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | Authors: | Kadam, R.U, Zhu, X, Wilson, I.A. | Deposit date: | 2023-04-06 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry. Proc.Natl.Acad.Sci.USA, 121, 2024
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8CC4
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![BU of 8cc4 by Molmil](/molmil-images/mine/8cc4) | LasB bound to phosphonic acid based inhibitor | Descriptor: | CALCIUM ION, Elastase, ZINC ION, ... | Authors: | Mueller, R, Sikandar, A. | Deposit date: | 2023-01-26 | Release date: | 2023-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections. Acs Cent.Sci., 9, 2023
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7KJZ
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![BU of 7kjz by Molmil](/molmil-images/mine/7kjz) | crystal structure of PLEKHA7 PH domain biding inositol-tetraphosphate | Descriptor: | 1,2-ETHANEDIOL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Pleckstrin homology domain-containing family A member 7 | Authors: | Marassi, F.M, Aleshin, A.E, Liddington, R.C. | Deposit date: | 2020-10-26 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids. Structure, 29, 2021
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