4X8J
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![BU of 4x8j by Molmil](/molmil-images/mine/4x8j) | Crystal Structure of murine 12F4 Fab monoclonal antibody against ADAMTS5 | Descriptor: | 12F4 FAB Heavy chain, 12F4 FAB Light chain, NONAETHYLENE GLYCOL, ... | Authors: | Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J. | Deposit date: | 2014-12-10 | Release date: | 2015-04-08 | Last modified: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification. Osteoarthr. Cartil., 23, 2015
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6ZW8
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![BU of 6zw8 by Molmil](/molmil-images/mine/6zw8) | Isopenicillin N synthase in complex with Cd and ACV. | Descriptor: | CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-07-27 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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4WF1
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![BU of 4wf1 by Molmil](/molmil-images/mine/4wf1) | Crystal structure of the E. coli ribosome bound to negamycin. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Olivier, N.B, Altman, R.B, Noeske, J, Basarab, G.S, Code, E, Ferguson, A.D, Gao, N, Huang, J, Juette, M.F, Livchak, S, Miller, M.D, Prince, D.B, Cate, J.H.D, Buurman, E.T, Blanchard, S.C. | Deposit date: | 2014-09-11 | Release date: | 2014-11-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Negamycin induces translational stalling and miscoding by binding to the small subunit head domain of the Escherichia coli ribosome. Proc.Natl.Acad.Sci.USA, 111, 2014
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8SVJ
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![BU of 8svj by Molmil](/molmil-images/mine/8svj) | Ubiquitin variant i53: mutant VHH with 53BP1 Tudor domain | Descriptor: | GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin varient i53 mutant VHH | Authors: | Holden, J, Partridge, J.R, Wibowo, A.S, Mulichak, A. | Deposit date: | 2023-05-16 | Release date: | 2024-03-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair. Nat Commun, 15, 2024
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6XZJ
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![BU of 6xzj by Molmil](/molmil-images/mine/6xzj) | Structure of zVDR LBD-Calcitriol in complex with chimera 12 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, ARG-HIS-LYS-ILE-LEU-URR-UIL-URL-GLN, ... | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | Deposit date: | 2020-02-04 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 60, 2021
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6XZH
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![BU of 6xzh by Molmil](/molmil-images/mine/6xzh) | Structure of zVDR LBD-Calcitriol in complex with chimera 10 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ARG-HIS-LYS-ILE-URL-URK-URL-LEU-GLN, Vitamin D3 receptor A | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | Deposit date: | 2020-02-04 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.372 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 60, 2021
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6XZI
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![BU of 6xzi by Molmil](/molmil-images/mine/6xzi) | Structure of zVDR LBD-calcitriol in complex with chimera 11 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, ARG-HIS-LYS-ILE-LEU-URK-UIL-URL, ... | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | Deposit date: | 2020-02-04 | Release date: | 2021-02-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 60, 2021
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4WJI
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![BU of 4wji by Molmil](/molmil-images/mine/4wji) | Crystal structure of cyclohexadienyl dehydrogenase from Sinorhizobium meliloti in complex with NADP and tyrosine | Descriptor: | CHLORIDE ION, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Shabalin, I.G, Cooper, D.R, Hou, J, Zimmerman, M.D, Stead, M, Hillerich, B.S, Ahmed, M, Hammonds, J, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-09-30 | Release date: | 2014-10-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of cyclohexadienyl dehydrogenase from Sinorhizobium meliloti in complex with NADP to be published
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6XZK
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![BU of 6xzk by Molmil](/molmil-images/mine/6xzk) | Structure of zVDR LBD-Calcitriol in complex with chimera 13 | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ACETATE ION, GLU-ASN-ALA-UIA-URL-URY-URV-UZN-LYS, ... | Authors: | Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G. | Deposit date: | 2020-02-04 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers. Angew.Chem.Int.Ed.Engl., 60, 2021
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8HHT
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![BU of 8hht by Molmil](/molmil-images/mine/8hht) | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHU
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![BU of 8hhu by Molmil](/molmil-images/mine/8hhu) | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | Descriptor: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.258 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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6U3M
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![BU of 6u3m by Molmil](/molmil-images/mine/6u3m) | DQ2-P.fluor-alpha1a | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha1a peptide, ... | Authors: | Petersen, J, Rossjohn, J. | Deposit date: | 2019-08-22 | Release date: | 2019-12-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease. Nat.Struct.Mol.Biol., 27, 2020
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4WRL
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![BU of 4wrl by Molmil](/molmil-images/mine/4wrl) | Structure of the human CSF-1:CSF-1R complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage colony-stimulating factor 1, Macrophage colony-stimulating factor 1 receptor, ... | Authors: | Felix, J, De Munck, S, Elegheert, J, Savvides, S.N. | Deposit date: | 2014-10-24 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Structure and Assembly Mechanism of the Signaling Complex Mediated by Human CSF-1. Structure, 23, 2015
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4WXG
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![BU of 4wxg by Molmil](/molmil-images/mine/4wxg) | Crystal structure of L-Serine Hydroxymethyltransferase in complex with a mixture of L-Threonine and Glycine | Descriptor: | GLYCEROL, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine, SODIUM ION, ... | Authors: | Hernandez, K, Zelen, I, Petrillo, G, Uson, I, Wandtke, C, Bujons, J, Joglar, J, Parella, T, Clapes, P. | Deposit date: | 2014-11-13 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineered L-Serine Hydroxymethyltransferase from Streptococcus thermophilus for the Synthesis of alpha , alpha-Dialkyl-alpha-Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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3IZ4
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![BU of 3iz4 by Molmil](/molmil-images/mine/3iz4) | |
6XBU
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![BU of 6xbu by Molmil](/molmil-images/mine/6xbu) | polymerase domain of polymerase-theta | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*GP*TP*CP*AP*TP*TP*G)-3'), DNA polymerase theta, ... | Authors: | Chen, X, Pomerantz, R, Zhao, J. | Deposit date: | 2020-06-07 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Pol theta reverse transcribes RNA and promotes RNA-templated DNA repair. Sci Adv, 7, 2021
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4WR2
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![BU of 4wr2 by Molmil](/molmil-images/mine/4wr2) | Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site | Descriptor: | CALCIUM ION, PENTAETHYLENE GLYCOL, Pyrimidine-specific ribonucleoside hydrolase RihA | Authors: | Himmel, D.M, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-10-22 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site To be published
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4WRM
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![BU of 4wrm by Molmil](/molmil-images/mine/4wrm) | Structure of the human CSF-1:CSF-1R complex | Descriptor: | Macrophage colony-stimulating factor 1, Macrophage colony-stimulating factor 1 receptor | Authors: | Felix, J, De Munck, S, Elegheert, J, Savvides, S.N. | Deposit date: | 2014-10-24 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (6.853 Å) | Cite: | Structure and Assembly Mechanism of the Signaling Complex Mediated by Human CSF-1. Structure, 23, 2015
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4WW1
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![BU of 4ww1 by Molmil](/molmil-images/mine/4ww1) | Crystal structure of human TCR Alpha Chain-TRAV21-TRAJ8 and Beta Chain-TRBV7-8 | Descriptor: | TCR Alpha Chain-TRAV21-TRAJ8, TCR Beta Chain-TRBV7-8 | Authors: | Le Nours, J, Praveena, T, Pellicci, D.G, Lim, R.T, Besra, G, Howell, A.R, Godfrey, D.I, Rossjohn, J, Uldrich, A.P. | Deposit date: | 2014-11-10 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens. Nat Commun, 7, 2016
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4WW2
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![BU of 4ww2 by Molmil](/molmil-images/mine/4ww2) | Crystal structure of human TCR Alpha Chain-TRAV21-TRAJ8, Beta Chain-TRBV7-8, Antigen-presenting glycoprotein CD1d, and Beta-2-microglobulin | Descriptor: | (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ... | Authors: | Le Nours, J, Praveena, T, Pellicci, D, Gherardin, N.A, Lim, R.T, Besra, G, Keshipeddy, S, Richardson, S.K, Howell, A.R, Gras, S, Godfrey, D.I, Rossjohn, J, Uldrich, A.P. | Deposit date: | 2014-11-10 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens. Nat Commun, 7, 2016
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4WWK
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![BU of 4wwk by Molmil](/molmil-images/mine/4wwk) | Crystal structure of human TCR Alpha Chain-TRAV12-3, Beta Chain-TRBV6-5, Antigen-presenting molecule CD1d, and Beta-2-microglobulin | Descriptor: | (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ... | Authors: | Le Nours, J, Praveena, T, Pellicci, D.G, Gherardin, N.A, Lim, R.T, Besra, G, Keshipeddy, A, Richardson, S.K, Howell, A.R, Gras, S, Godfrey, D.I, Rossjohn, J, Uldrich, A.P. | Deposit date: | 2014-11-11 | Release date: | 2016-02-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens. Nat Commun, 7, 2016
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6RKB
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![BU of 6rkb by Molmil](/molmil-images/mine/6rkb) | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 1 | Descriptor: | 4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | Deposit date: | 2019-04-30 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B. J.Med.Chem., 63, 2020
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6RKP
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![BU of 6rkp by Molmil](/molmil-images/mine/6rkp) | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 84 | Descriptor: | 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | Deposit date: | 2019-04-30 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B. J.Med.Chem., 63, 2020
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4X64
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![BU of 4x64 by Molmil](/molmil-images/mine/4x64) | Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. | Deposit date: | 2014-12-06 | Release date: | 2015-11-18 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics. Nat.Struct.Mol.Biol., 23, 2016
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4WXF
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![BU of 4wxf by Molmil](/molmil-images/mine/4wxf) | Crystal structure of L-Serine Hydroxymethyltransferase in complex with glycine | Descriptor: | GLYCEROL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase | Authors: | Hernandez, K, Zelen, I, Petrillo, G, Uson, I, Wadtke, C, Bujons, J, Joglar, J, Parella, T, Clapes, P. | Deposit date: | 2014-11-13 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Engineered L-Serine Hydroxymethyltransferase from Streptococcus thermophilus for the Synthesis of alpha , alpha-Dialkyl-alpha-Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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