8CBF
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![BU of 8cbf by Molmil](/molmil-images/mine/8cbf) | SARS-CoV-2 Delta-RBD complexed with Omi-42 and Beta-49 Fabs | Descriptor: | Beta-49 heavy chain, Beta-49 light chain, CHLORIDE ION, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2023-01-25 | Release date: | 2024-02-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection. Nat Commun, 15, 2024
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5MT2
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![BU of 5mt2 by Molmil](/molmil-images/mine/5mt2) | Glycoside hydrolase BT_0996 | Descriptor: | Beta-galactosidase, GLYCEROL | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2017-01-06 | Release date: | 2017-03-22 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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5MTK
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![BU of 5mtk by Molmil](/molmil-images/mine/5mtk) | Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199) | Descriptor: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | Deposit date: | 2017-01-09 | Release date: | 2018-02-28 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Playing against the odds: scaffold hopping from 3D-fragments To Be Published
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8CDT
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![BU of 8cdt by Molmil](/molmil-images/mine/8cdt) | |
5MTX
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![BU of 5mtx by Molmil](/molmil-images/mine/5mtx) | Dibenzooxepinone inhibitor 12b in complex with p38 MAPK | Descriptor: | 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2017-01-11 | Release date: | 2017-09-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine. J. Med. Chem., 60, 2017
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8CBE
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![BU of 8cbe by Molmil](/molmil-images/mine/8cbe) | SARS-CoV-2 Delta-RBD complexed with BA.4/5-2 and Beta-49 Fabs | Descriptor: | BA.4/5-2 heavy chain, BA.4/5-2 light chain, Beta-49 heavy chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2023-01-25 | Release date: | 2024-02-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection. Nat Commun, 15, 2024
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5MUA
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![BU of 5mua by Molmil](/molmil-images/mine/5mua) | PSL1a-E64 complex | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, ... | Authors: | Cordara, G, Manna, D, Krengel, U. | Deposit date: | 2017-01-12 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Family of Papain-Like Fungal Chimerolectins with Distinct Ca(2+)-Dependent Activation Mechanism. Biochemistry, 56, 2017
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8CCL
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![BU of 8ccl by Molmil](/molmil-images/mine/8ccl) | |
5MUJ
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![BU of 5muj by Molmil](/molmil-images/mine/5muj) | BT0996 RGII Chain B Complex | Descriptor: | ACETATE ION, Beta-galactosidase, alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-4)-alpha-L-rhamnopyranose-(1-3)-3-C-(hydroxylmethyl)-alpha-D-erythrofuranose | Authors: | Cartmell, A, Basle, A, Ndeh, D, Luis, A.S, Venditto, I, Labourel, A, Rogowski, A, Gilbert, H.J. | Deposit date: | 2017-01-13 | Release date: | 2017-04-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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8CCJ
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8CCM
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4Q3I
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![BU of 4q3i by Molmil](/molmil-images/mine/4q3i) | Structure of the OsSERK2 leucine rich repeat extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, OsSERK2 D128N | Authors: | McAndrew, R.P, Pruitt, R.N, Kamita, S.G, Pereira, J.H, Majumder, D, Hammock, B.D, Adams, P.D, Ronald, P.C. | Deposit date: | 2014-04-11 | Release date: | 2014-11-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of the OsSERK2 leucine-rich repeat extracellular domain. Acta Crystallogr.,Sect.D, 70, 2014
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7AGX
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![BU of 7agx by Molmil](/molmil-images/mine/7agx) | Apo-state type 3 secretion system export apparatus complex from Salmonella enterica typhimurium | Descriptor: | Protein PrgI, Protein PrgJ, Surface presentation of antigens protein SpaP, ... | Authors: | Goessweiner-Mohr, N, Fahrenkamp, D, Miletic, S, Wald, J, Marlovits, T. | Deposit date: | 2020-09-23 | Release date: | 2021-03-17 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Substrate-engaged type III secretion system structures reveal gating mechanism for unfolded protein translocation. Nat Commun, 12, 2021
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7B67
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![BU of 7b67 by Molmil](/molmil-images/mine/7b67) | Structure of NUDT15 V18_V19insGV Mutant in complex with TH7755 | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15, ... | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-07 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B65
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![BU of 7b65 by Molmil](/molmil-images/mine/7b65) | Structure of NUDT15 R139C Mutant in complex with TH7755 | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-07 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B63
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![BU of 7b63 by Molmil](/molmil-images/mine/7b63) | Structure of NUDT15 in complex with TH7755 | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15 | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-07 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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5MBK
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![BU of 5mbk by Molmil](/molmil-images/mine/5mbk) | Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Beta subunit of photoactivated adenylyl cyclase, MAGNESIUM ION | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-11-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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7B66
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![BU of 7b66 by Molmil](/molmil-images/mine/7b66) | Structure of NUDT15 R139H Mutant in complex with TH7755 | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-07 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B64
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![BU of 7b64 by Molmil](/molmil-images/mine/7b64) | Structure of NUDT15 V18I Mutant in complex with TH7755 | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-07 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7AI7
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![BU of 7ai7 by Molmil](/molmil-images/mine/7ai7) | MutS in Intermediate state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*CP*TP*TP*AP*GP*CP*TP*TP*AP*GP*GP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*CP*CP*TP*AP*AP*CP*TP*AP*AP*G)-3'), ... | Authors: | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | Deposit date: | 2020-09-26 | Release date: | 2021-03-31 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | The selection process of licensing a DNA mismatch for repair. Nat.Struct.Mol.Biol., 28, 2021
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8CK2
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![BU of 8ck2 by Molmil](/molmil-images/mine/8ck2) | MUC2 CysD1 G1352S | Descriptor: | ACETATE ION, CALCIUM ION, Mucin-2, ... | Authors: | Khmelnitsky, L, Fass, D. | Deposit date: | 2023-02-14 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Pulmonary Fibrosis Mutation Undermines Mucin 5B Supramolecular Assembly To Be Published
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5MAD
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![BU of 5mad by Molmil](/molmil-images/mine/5mad) | GFP-binding DARPin 3G61 | Descriptor: | 3G61, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ... | Authors: | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | Deposit date: | 2016-11-03 | Release date: | 2017-12-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity. Sci Rep, 7, 2017
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5MBL
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![BU of 5mbl by Molmil](/molmil-images/mine/5mbl) | |
7AIB
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![BU of 7aib by Molmil](/molmil-images/mine/7aib) | MutS-MutL in clamp state | Descriptor: | DNA (30-MER), DNA mismatch repair protein MutL, DNA mismatch repair protein MutS, ... | Authors: | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | Deposit date: | 2020-09-26 | Release date: | 2021-03-31 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | The selection process of licensing a DNA mismatch for repair. Nat.Struct.Mol.Biol., 28, 2021
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7AI6
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![BU of 7ai6 by Molmil](/molmil-images/mine/7ai6) | MutS in mismatch bound state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (25-MER), DNA mismatch repair protein MutS | Authors: | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | Deposit date: | 2020-09-26 | Release date: | 2021-03-31 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (6.9 Å) | Cite: | The selection process of licensing a DNA mismatch for repair. Nat.Struct.Mol.Biol., 28, 2021
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