7NDQ
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![BU of 7ndq by Molmil](/molmil-images/mine/7ndq) | Gag:02 TCR in complex with HLA-E. | Descriptor: | Beta-2-microglobulin, Gag6V, HLA class I histocompatibility antigen, ... | Authors: | Pengelly, R.J, Robinson, R.A. | Deposit date: | 2021-02-02 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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6PNY
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![BU of 6pny by Molmil](/molmil-images/mine/6pny) | X-ray Structure of Flpp3 | Descriptor: | Flpp3 | Authors: | Zook, J.D, Shekhar, M, Hansen, D.T, Conrad, C, Grant, T.D, Gupta, C, White, T, Barty, A, Basu, S, Zhao, Y, Zatsepin, N.A, Ishchenko, A, Batyuk, A, Gati, C, Li, C, Galli, L, Coe, J, Hunter, M, Liang, M, Weierstall, U, Nelson, G, James, D, Stauch, B, Craciunescu, F, Thifault, D, Liu, W, Cherezov, V, Singharoy, A, Fromme, P. | Deposit date: | 2019-07-03 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia. Structure, 28, 2020
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2M4F
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![BU of 2m4f by Molmil](/molmil-images/mine/2m4f) | Solution Structure of Outer surface protein E | Descriptor: | Outer surface protein E | Authors: | Bhattacharjee, A, Oeemig, J.S, Kolodziejczyk, R, Meri, T, Kajander, T, Iwai, H, Jokiranta, T, Goldman, A. | Deposit date: | 2013-02-05 | Release date: | 2013-05-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis for Complement Evasion by Lyme Disease Pathogen Borrelia burgdorferi J.Biol.Chem., 288, 2013
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4WL9
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![BU of 4wl9 by Molmil](/molmil-images/mine/4wl9) | |
7ZL3
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5MG0
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![BU of 5mg0 by Molmil](/molmil-images/mine/5mg0) | Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography | Descriptor: | 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ... | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M. | Deposit date: | 2016-11-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers. Nat. Methods, 14, 2017
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5MG1
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![BU of 5mg1 by Molmil](/molmil-images/mine/5mg1) | Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M. | Deposit date: | 2016-11-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers. Nat. Methods, 14, 2017
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5KAE
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![BU of 5kae by Molmil](/molmil-images/mine/5kae) | |
6TLC
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![BU of 6tlc by Molmil](/molmil-images/mine/6tlc) | Unphosphorylated human STAT3 in complex with MS3-6 monobody | Descriptor: | Monobody, Signal transducer and activator of transcription 3 | Authors: | La Sala, G, Lau, K, Reynaud, A, Pojer, F, Hantschel, O. | Deposit date: | 2019-12-02 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Selective inhibition of STAT3 signaling using monobodies targeting the coiled-coil and N-terminal domains. Nat Commun, 11, 2020
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6N6O
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![BU of 6n6o by Molmil](/molmil-images/mine/6n6o) | Crystal structure of the human TTK in complex with an inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ... | Authors: | Fenalti, G. | Deposit date: | 2018-11-26 | Release date: | 2019-05-15 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy. J.Med.Chem., 62, 2019
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6OA6
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5ZLG
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![BU of 5zlg by Molmil](/molmil-images/mine/5zlg) | Human duodenal cytochrome b (Dcytb) in zinc ion and ascorbate bound form | Descriptor: | ASCORBIC ACID, Cytochrome b reductase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ganasen, M, Togashi, H, Mauk, G.A, Shiro, Y, Sawai, H, Sugimoto, H. | Deposit date: | 2018-03-27 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for promotion of duodenal iron absorption by enteric ferric reductase with ascorbate. Commun Biol, 1, 2018
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6O31
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5ZLE
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![BU of 5zle by Molmil](/molmil-images/mine/5zle) | Human duodenal cytochrome b (Dcytb) in substrate free form | Descriptor: | Cytochrome b reductase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ganasen, M, Togashi, H, Mauk, G.A, Shiro, Y, Sawai, H, Sugimoto, H. | Deposit date: | 2018-03-27 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for promotion of duodenal iron absorption by enteric ferric reductase with ascorbate. Commun Biol, 1, 2018
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5AYF
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![BU of 5ayf by Molmil](/molmil-images/mine/5ayf) | Crystal structure of SET7/9 in complex with cyproheptadine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine, Histone-lysine N-methyltransferase SETD7, ... | Authors: | Niwa, H, Handa, N, Takemoto, Y, Ito, A, Tomabechi, Y, Umehara, T, Shirouzu, M, Yoshida, M, Yokoyama, S. | Deposit date: | 2015-08-20 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Identification of Cyproheptadine as an Inhibitor of SET Domain Containing Lysine Methyltransferase 7/9 (Set7/9) That Regulates Estrogen-Dependent Transcription J.Med.Chem., 59, 2016
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5XF1
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![BU of 5xf1 by Molmil](/molmil-images/mine/5xf1) | Structure of the Full-length glucagon class B G protein-coupled receptor | 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: | Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B. | Deposit date: | 2017-04-06 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor. Nature, 546, 2017
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3OTQ
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![BU of 3otq by Molmil](/molmil-images/mine/3otq) | Soluble Epoxide Hydrolase in complex with pyrazole antagonist | Descriptor: | Epoxide hydrolase 2, N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyrazol-1-yl)phenyl]pyridine-3-carboxamide | Authors: | Farrow, N.A. | Deposit date: | 2010-09-13 | Release date: | 2010-10-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Substituted pyrazoles as novel sEH antagonist: investigation of key binding interactions within the catalytic domain. Bioorg.Med.Chem.Lett., 20, 2010
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6GF6
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6GF7
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6GF8
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3GI3
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![BU of 3gi3 by Molmil](/molmil-images/mine/3gi3) | Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase | Descriptor: | Mitogen-activated protein kinase 14, N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide | Authors: | Qian, K.C. | Deposit date: | 2009-03-05 | Release date: | 2009-10-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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1HF4
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![BU of 1hf4 by Molmil](/molmil-images/mine/1hf4) | STRUCTURAL EFFECTS OF MONOVALENT ANIONS ON POLYMORPHIC LYSOZYME CRYSTALS | Descriptor: | LYSOZYME, NITRATE ION, SODIUM ION | Authors: | Vaney, M.C, Broutin, I, Ries-Kautt, M, Ducruix, A. | Deposit date: | 2000-11-29 | Release date: | 2001-01-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Effects of Monovalent Anions on Polymorphic Lysozyme Crystals Acta Crystallogr.,Sect.D, 57, 2001
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5XEZ
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![BU of 5xez by Molmil](/molmil-images/mine/5xez) | Structure of the Full-length glucagon class B G protein-coupled receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, ... | Authors: | Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B. | Deposit date: | 2017-04-06 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor. Nature, 546, 2017
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2B3P
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![BU of 2b3p by Molmil](/molmil-images/mine/2b3p) | Crystal structure of a superfolder green fluorescent protein | Descriptor: | ACETIC ACID, CADMIUM ION, green fluorescent protein | Authors: | Pedelacq, J.D, Cabantous, S, Tran, T.H, Terwilliger, T.C, Waldo, G.S. | Deposit date: | 2005-09-20 | Release date: | 2005-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Engineering and characterization of a superfolder green fluorescent protein. Nat.Biotechnol., 24, 2006
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2B3Q
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![BU of 2b3q by Molmil](/molmil-images/mine/2b3q) | Crystal structure of a well-folded variant of green fluorescent protein | Descriptor: | MAGNESIUM ION, green fluorescent protein | Authors: | Pedelacq, J.D, Cabantous, S, Tran, T.H, Terwilliger, T.C, Waldo, G.S. | Deposit date: | 2005-09-20 | Release date: | 2005-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Engineering and characterization of a superfolder green fluorescent protein. Nat.Biotechnol., 24, 2006
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