7NK4
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![BU of 7nk4 by Molmil](/molmil-images/mine/7nk4) | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8203 core | Descriptor: | Nanobody 8203, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-17 | Release date: | 2021-12-01 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (5.32 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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3LCG
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![BU of 3lcg by Molmil](/molmil-images/mine/3lcg) | The D-sialic acid aldolase mutant V251L | Descriptor: | N-acetylneuraminate lyase, SULFATE ION | Authors: | Chou, C.-Y, Wang, A.H.-J, Ko, T.-P. | Deposit date: | 2010-01-11 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Modulation of substrate specificities of D-sialic acid aldolase through single mutations of Val251 To be Published
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5HBU
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![BU of 5hbu by Molmil](/molmil-images/mine/5hbu) | |
3LD8
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![BU of 3ld8 by Molmil](/molmil-images/mine/3ld8) | Structure of JMJD6 and Fab Fragments | Descriptor: | Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, GLYCEROL, ... | Authors: | Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G. | Deposit date: | 2010-01-12 | Release date: | 2010-08-04 | Last modified: | 2012-06-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Interaction of JMJD6 with single-stranded RNA. Proc.Natl.Acad.Sci.USA, 107, 2010
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5HCO
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![BU of 5hco by Molmil](/molmil-images/mine/5hco) | Endothiapepsin in complex with hydrazide | Descriptor: | 4-(dimethylamino)benzohydrazide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2016-01-04 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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6U4K
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![BU of 6u4k by Molmil](/molmil-images/mine/6u4k) | Human talin2 residues 1-403 | Descriptor: | Talin-2 | Authors: | Izard, T, Rangarajan, E.S, Colgan, L, Yasuda, R, Chinthalapudi, K. | Deposit date: | 2019-08-26 | Release date: | 2020-07-08 | Last modified: | 2020-09-23 | Method: | X-RAY DIFFRACTION (2.555 Å) | Cite: | A distinct talin2 structure directs isoform specificity in cell adhesion. J.Biol.Chem., 295, 2020
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3LCX
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![BU of 3lcx by Molmil](/molmil-images/mine/3lcx) | L-KDO aldolase | Descriptor: | N-acetylneuraminate lyase, SULFATE ION | Authors: | Chou, C.-Y, Huang, K.-F, Wang, A.H.-J, Ko, T.-P. | Deposit date: | 2010-01-12 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Modulation of substrate specificities of D-sialic acid aldolase through single mutations of Val251 To be Published
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7SIS
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![BU of 7sis by Molmil](/molmil-images/mine/7sis) | |
5HCV
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![BU of 5hcv by Molmil](/molmil-images/mine/5hcv) | |
3LDN
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![BU of 3ldn by Molmil](/molmil-images/mine/3ldn) | Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in apo form | Descriptor: | 78 kDa glucose-regulated protein | Authors: | Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S. | Deposit date: | 2010-01-13 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity. J.Med.Chem., 54, 2011
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7NK8
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![BU of 7nk8 by Molmil](/molmil-images/mine/7nk8) | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8205 core | Descriptor: | Nb8205, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2021-02-17 | Release date: | 2021-12-01 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (5.34 Å) | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies. Nat Commun, 13, 2022
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5HCY
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![BU of 5hcy by Molmil](/molmil-images/mine/5hcy) | EGFR kinase domain mutant "TMLR" with 3-carboxamide azaindole compound 13 | Descriptor: | 6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{N}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2016-01-04 | Release date: | 2016-09-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor. J.Med.Chem., 59, 2016
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5HD7
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![BU of 5hd7 by Molmil](/molmil-images/mine/5hd7) | Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | Descriptor: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | Deposit date: | 2016-01-04 | Release date: | 2016-02-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Dissecting Therapeutic Resistance to ERK Inhibition. Mol.Cancer Ther., 15, 2016
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3LDQ
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![BU of 3ldq by Molmil](/molmil-images/mine/3ldq) | Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor | Descriptor: | 8-[(quinolin-2-ylmethyl)amino]adenosine, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein | Authors: | Dokurno, P, Surgenor, A.E, Shaw, T, Macias, A.T, Massey, A.J, Williamson, D.S. | Deposit date: | 2010-01-13 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Adenosine-Derived Inhibitors of 78 kDa Glucose Regulated Protein (Grp78) ATPase: Insights into Isoform Selectivity. J.Med.Chem., 54, 2011
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3LE5
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![BU of 3le5 by Molmil](/molmil-images/mine/3le5) | |
3LE2
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![BU of 3le2 by Molmil](/molmil-images/mine/3le2) | Structure of Arabidopsis AtSerpin1. Native Stressed Conformation | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | Authors: | Harrop, S.J, Joss, T.V, Cumi, P.M.G, Roberts, T.H. | Deposit date: | 2010-01-14 | Release date: | 2010-02-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Arabidopsis AtSerpin1, crystal structure and in vivo interaction with its target protease RESPONSIVE TO DESICCATION-21 (RD21). J.Biol.Chem., 285, 2010
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5HNG
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![BU of 5hng by Molmil](/molmil-images/mine/5hng) | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole, SULFATE ION | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | Deposit date: | 2016-01-18 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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5HNK
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![BU of 5hnk by Molmil](/molmil-images/mine/5hnk) | Crystal structure of T5Fen in complex intact substrate and metal ions. | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*C)-3'), Exodeoxyribonuclease, GLYCEROL, ... | Authors: | Almalki, F.A, Feng, M, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J. | Deposit date: | 2016-01-18 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Direct observation of DNA threading in flap endonuclease complexes. Nat.Struct.Mol.Biol., 23, 2016
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5HPG
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![BU of 5hpg by Molmil](/molmil-images/mine/5hpg) | |
3LER
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![BU of 3ler by Molmil](/molmil-images/mine/3ler) | Crystal Structure of Dihydrodipicolinate Synthase from Campylobacter jejuni subsp. jejuni NCTC 11168 | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kim, Y, Zhou, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-01-15 | Release date: | 2010-01-26 | Last modified: | 2018-05-30 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal Structure of Dihydrodipicolinate Synthase from Campylobacter jejuni subsp. jejuni NCTC 11168 To be Published
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5H5K
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![BU of 5h5k by Molmil](/molmil-images/mine/5h5k) | ATP and CMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Biswas, A, Jeyakanthan, J, Sekar, K. | Deposit date: | 2016-11-06 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate FEBS J., 284, 2017
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5H5X
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![BU of 5h5x by Molmil](/molmil-images/mine/5h5x) | |
3LES
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![BU of 3les by Molmil](/molmil-images/mine/3les) | 2F5 Epitope scaffold ES2 | Descriptor: | RNA polymerase sigma factor, SULFATE ION | Authors: | Ofek, G, Guenaga, F.J, Schief, W.R, Skinner, J, Wyatt, R, Baker, D, Kwong, P.D. | Deposit date: | 2010-01-15 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Elicitation of structure-specific antibodies by epitope scaffolds. Proc.Natl.Acad.Sci.USA, 107, 2010
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3LFZ
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![BU of 3lfz by Molmil](/molmil-images/mine/3lfz) | Crystal Structure of Protein MJ1225 from Methanocaldococcus jannaschii, a putative archaeal homolog of g-AMPK. | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Gomez-Garcia, I, Oyenarte, I, Kortazar, D, Martinez-Cruz, L.A. | Deposit date: | 2010-01-19 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of protein MJ1225 from Methanocaldococcus jannaschii shows strong conservation of key structural features seen in the eukaryal gamma-AMPK. J.Mol.Biol., 65, 2010
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5HDK
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![BU of 5hdk by Molmil](/molmil-images/mine/5hdk) | |