7E6M
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![BU of 7e6m by Molmil](/molmil-images/mine/7e6m) | Crystal structure of Human coronavirus NL63 3C-like protease | Descriptor: | 3C-like proteinase | Authors: | Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | Deposit date: | 2021-02-22 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.83445024 Å) | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values Acta Crystallogr.,Sect.F, 77, 2021
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6M80
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![BU of 6m80 by Molmil](/molmil-images/mine/6m80) | Collagen peptide containing aza-proline and aza-glycine | Descriptor: | 1,2-ETHANEDIOL, Collagen peptide containing aza-proline and aza-glycine, SULFATE ION | Authors: | Chenoweth, D.M, Kasznel, A.J, Porter, N.J. | Deposit date: | 2018-08-21 | Release date: | 2019-07-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Aza-proline effectively mimics l-proline stereochemistry in triple helical collagen. Chem Sci, 10, 2019
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7E6N
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![BU of 7e6n by Molmil](/molmil-images/mine/7e6n) | Crystal structure of HCoV-NL63 3C-like protease,pH5.2 | Descriptor: | 3C-like proteinase | Authors: | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | Deposit date: | 2021-02-22 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8413 Å) | Cite: | Crystal structures of human coronavirus NL63 main protease at different pH values Acta Crystallogr.,Sect.F, 77, 2021
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7E1V
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![BU of 7e1v by Molmil](/molmil-images/mine/7e1v) | Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-13 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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7E1X
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![BU of 7e1x by Molmil](/molmil-images/mine/7e1x) | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47 | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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7E1W
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![BU of 7e1w by Molmil](/molmil-images/mine/7e1w) | Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203 | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ... | Authors: | Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z. | Deposit date: | 2021-02-03 | Release date: | 2021-10-27 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates. Elife, 10, 2021
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5BU2
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![BU of 5bu2 by Molmil](/molmil-images/mine/5bu2) | Structure of the C-terminal domain of lpg1496 from Legionella pneumophila in complex with nucleotide | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, alpha-D-ribofuranose, ... | Authors: | Wong, K, Kozlov, G, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2015-06-03 | Release date: | 2015-08-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structure of the Legionella Effector, lpg1496, Suggests a Role in Nucleotide Metabolism. J.Biol.Chem., 290, 2015
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3NO7
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![BU of 3no7 by Molmil](/molmil-images/mine/3no7) | |
7DV4
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![BU of 7dv4 by Molmil](/molmil-images/mine/7dv4) | Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4 | Descriptor: | 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4 | Authors: | Li, H, Gan, X, He, Y. | Deposit date: | 2021-01-12 | Release date: | 2022-01-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | An anti-CTLA-4 heavy chain-only antibody with enhanced T reg depletion shows excellent preclinical efficacy and safety profile. Proc.Natl.Acad.Sci.USA, 119, 2022
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3NOX
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![BU of 3nox by Molmil](/molmil-images/mine/3nox) | Crystal structure of human DPP-IV in complex with Sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone | 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 (CD26, ... | Authors: | Klei, H.E. | Deposit date: | 2010-06-25 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.338 Å) | Cite: | Discovery of 6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamides as Potent, Selective Dipeptidyl Peptidase-4 (DPP4) Inhibitors. J.Med.Chem., 53, 2010
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5BU1
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![BU of 5bu1 by Molmil](/molmil-images/mine/5bu1) | Structure of the truncated C-terminal domain of lpg1496 from Legionella pneumophila | Descriptor: | LPG1496, MALONATE ION | Authors: | Wong, K, Kozlov, G, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2015-06-03 | Release date: | 2015-08-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the Legionella Effector, lpg1496, Suggests a Role in Nucleotide Metabolism. J.Biol.Chem., 290, 2015
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5T8F
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![BU of 5t8f by Molmil](/molmil-images/mine/5t8f) | p110delta/p85alpha with taselisib (GDC-0032) | Descriptor: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Moertl, M, Steinbacher, S, Eigenbrot, C. | Deposit date: | 2016-09-07 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J. Med. Chem., 60, 2017
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3IFT
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![BU of 3ift by Molmil](/molmil-images/mine/3ift) | Crystal structure of glycine cleavage system protein H from Mycobacterium tuberculosis, using X-rays from the Compact Light Source. | Descriptor: | Glycine cleavage system H protein | Authors: | Edwards, T.E, Abendroth, J, Staker, B, Mayer, C, Phan, I, Kelley, A, Analau, E, Leibly, D, Rifkin, J, Loewen, R, Ruth, R.D, Stewart, L.J, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) | Deposit date: | 2009-07-25 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure determination of the glycine cleavage system protein H of Mycobacterium tuberculosis using an inverse Compton synchrotron X-ray source. J.Struct.Funct.Genom., 11, 2010
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5T8O
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![BU of 5t8o by Molmil](/molmil-images/mine/5t8o) | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3 | Descriptor: | 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Smith, M.A, McEwan, P, Hymowitz, S.G. | Deposit date: | 2016-09-08 | Release date: | 2017-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J. Med. Chem., 60, 2017
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5TKY
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![BU of 5tky by Molmil](/molmil-images/mine/5tky) | Crystal structure of the co-translational Hsp70 chaperone Ssb in the ATP-bound, open conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Putative uncharacterized protein | Authors: | Gumiero, A, Gese, G.V, Weyer, F.A, Lapouge, K, Sinning, I. | Deposit date: | 2016-10-10 | Release date: | 2016-11-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Interaction of the cotranslational Hsp70 Ssb with ribosomal proteins and rRNA depends on its lid domain. Nat Commun, 7, 2016
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5T8P
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![BU of 5t8p by Molmil](/molmil-images/mine/5t8p) | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2 | Descriptor: | 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | Authors: | Smith, M.A, McEwan, P.A. | Deposit date: | 2016-09-08 | Release date: | 2017-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J. Med. Chem., 60, 2017
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3NWO
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![BU of 3nwo by Molmil](/molmil-images/mine/3nwo) | |
5YGK
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![BU of 5ygk by Molmil](/molmil-images/mine/5ygk) | Crystal structure of a synthase from Streptomyces sp. CL190 with dmaspp | Descriptor: | Cyclolavandulyl diphosphate synthase, DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION | Authors: | Gao, J, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2017-09-23 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | Catalytic Role of Conserved Asparagine, Glutamine, Serine, and Tyrosine Residues in Isoprenoid Biosynthesis Enzymes. Acs Catalysis, 8, 2018
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3O0M
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![BU of 3o0m by Molmil](/molmil-images/mine/3o0m) | |
5TRC
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![BU of 5trc by Molmil](/molmil-images/mine/5trc) | |
3O38
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![BU of 3o38 by Molmil](/molmil-images/mine/3o38) | |
8GTP
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![BU of 8gtp by Molmil](/molmil-images/mine/8gtp) | cryo-EM structure of Omicron BA.5 S protein in complex with XGv289 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q. | Deposit date: | 2022-09-08 | Release date: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants. Cell Discov, 9, 2023
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8GTO
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![BU of 8gto by Molmil](/molmil-images/mine/8gto) | cryo-EM structure of Omicron BA.5 S protein in complex with XGv282 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q. | Deposit date: | 2022-09-08 | Release date: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants. Cell Discov, 9, 2023
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8GTQ
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![BU of 8gtq by Molmil](/molmil-images/mine/8gtq) | cryo-EM structure of Omicron BA.5 S protein in complex with S2L20 | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q. | Deposit date: | 2022-09-08 | Release date: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants. Cell Discov, 9, 2023
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7L0F
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![BU of 7l0f by Molmil](/molmil-images/mine/7l0f) | Monobody 12VC3 Bound to HRAS(WT) | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase HRas, MAGNESIUM ION, ... | Authors: | Teng, K.W, Hattori, T, Tsai, S, Koide, S. | Deposit date: | 2020-12-11 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Selective and noncovalent targeting of RAS mutants for inhibition and degradation. Nat Commun, 12, 2021
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