5JGF
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![BU of 5jgf by Molmil](/molmil-images/mine/5jgf) | Crystal structure of mApe1 | Descriptor: | Vacuolar aminopeptidase 1, ZINC ION | Authors: | Noda, N.N, Adachi, W, Inagaki, F. | Deposit date: | 2016-04-20 | Release date: | 2016-06-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Basis for Receptor-Mediated Selective Autophagy of Aminopeptidase I Aggregates Cell Rep, 16, 2016
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1JZU
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![BU of 1jzu by Molmil](/molmil-images/mine/1jzu) | Cell transformation by the myc oncogene activates expression of a lipocalin: analysis of the gene (Q83) and solution structure of its protein product | Descriptor: | lipocalin Q83 | Authors: | Hartl, M, Matt, T, Schueler, W, Siemeister, G, Kontaxis, G, Kloiber, K, Konrat, R, Bister, K. | Deposit date: | 2001-09-17 | Release date: | 2003-07-15 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Cell Transformation by the v-myc Oncogene Abrogates c-Myc/Max-mediated Suppression of a
C/EBPbeta-dependent Lipocalin Gene. J.Mol.Biol., 333, 2003
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7R9L
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![BU of 7r9l by Molmil](/molmil-images/mine/7r9l) | Crystal structure of HPK1 in complex with compound 2 | Descriptor: | 2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, Hematopoietic progenitor kinase | Authors: | Wu, P, Lehoux, I, Wang, W. | Deposit date: | 2021-06-29 | Release date: | 2022-01-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.332 Å) | Cite: | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
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7R9P
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![BU of 7r9p by Molmil](/molmil-images/mine/7r9p) | Crystal structure of HPK1 in complex with compound 14 | Descriptor: | 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide, Hematopoietic progenitor kinase, SULFATE ION | Authors: | Wu, P, Lehoux, I, Wang, W. | Deposit date: | 2021-06-29 | Release date: | 2022-01-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
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7R9T
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![BU of 7r9t by Molmil](/molmil-images/mine/7r9t) | Crystal structure of HPK1 in complex with compound 17 | Descriptor: | 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide, Hematopoietic progenitor kinase | Authors: | Wu, P, Lehoux, I, Wang, W. | Deposit date: | 2021-06-29 | Release date: | 2022-01-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
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7R9N
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![BU of 7r9n by Molmil](/molmil-images/mine/7r9n) | Crystal structure of HPK1 in complex with GNE1858 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hematopoietic progenitor kinase, ... | Authors: | Wu, P, Lehoux, I, Wang, W. | Deposit date: | 2021-06-29 | Release date: | 2022-01-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1). Acs Med.Chem.Lett., 13, 2022
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5HBL
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![BU of 5hbl by Molmil](/molmil-images/mine/5hbl) | Native rhodanese domain of YgaP prepared with 1mM DDT is S-nitrosylated | Descriptor: | Inner membrane protein YgaP | Authors: | Eichmann, C, Tzitzilonis, C, Nakamura, T, Kwiatkowski, W, Maslennikov, I, Choe, S, Lipton, S.A, Riek, R. | Deposit date: | 2015-12-31 | Release date: | 2016-08-10 | Last modified: | 2021-09-08 | Method: | X-RAY DIFFRACTION (1.617 Å) | Cite: | S-Nitrosylation Induces Structural and Dynamical Changes in a Rhodanese Family Protein. J.Mol.Biol., 428, 2016
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5H7F
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![BU of 5h7f by Molmil](/molmil-images/mine/5h7f) | |
5HFJ
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![BU of 5hfj by Molmil](/molmil-images/mine/5hfj) | crystal structure of M1.HpyAVI-SAM complex | Descriptor: | Adenine specific DNA methyltransferase (DpnA), S-ADENOSYLMETHIONINE | Authors: | Ma, B, Liu, W, Zhang, H. | Deposit date: | 2016-01-07 | Release date: | 2016-11-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Biochemical and structural characterization of a DNA N6-adenine methyltransferase from Helicobacter pylori Oncotarget, 7, 2016
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5HTP
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![BU of 5htp by Molmil](/molmil-images/mine/5htp) | |
5HBP
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![BU of 5hbp by Molmil](/molmil-images/mine/5hbp) | The crystal of rhodanese domain of YgaP treated with SNOC | Descriptor: | Inner membrane protein YgaP | Authors: | Eichmann, C, Tzitzilonis, C, Nakamura, T, Kwiatkowski, W, Maslennikov, I, Choe, S, Lipton, S.A, Riek, R. | Deposit date: | 2016-01-01 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | S-Nitrosylation Induces Structural and Dynamical Changes in a Rhodanese Family Protein. J.Mol.Biol., 428, 2016
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5HBU
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![BU of 5hbu by Molmil](/molmil-images/mine/5hbu) | |
7RRL
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![BU of 7rrl by Molmil](/molmil-images/mine/7rrl) | |
5JBW
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![BU of 5jbw by Molmil](/molmil-images/mine/5jbw) | Crystal structure of LiuC | Descriptor: | 3-hydroxybutyryl-CoA dehydratase | Authors: | Bock, T, Reichelt, J, Mueller, R, Blankenfeldt, W. | Deposit date: | 2016-04-14 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Structure of LiuC, a 3-Hydroxy-3-Methylglutaconyl CoA Dehydratase Involved in Isovaleryl-CoA Biosynthesis in Myxococcus xanthus, Reveals Insights into Specificity and Catalysis. Chembiochem, 17, 2016
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5J19
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![BU of 5j19 by Molmil](/molmil-images/mine/5j19) | phospho-Pon binding-induced Plk1 dimerization | Descriptor: | GLYCEROL, Phosphorylated peptide from Partner of Numb, Serine/threonine-protein kinase PLK1 | Authors: | Zhu, K, Shan, Z, Zhang, L, Wen, W. | Deposit date: | 2016-03-29 | Release date: | 2016-06-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phospho-Pon Binding-Mediated Fine-Tuning of Plk1 Activity Structure, 24, 2016
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7SIU
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![BU of 7siu by Molmil](/molmil-images/mine/7siu) | Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745 | Descriptor: | 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | Authors: | Longenecker, K.L, Korepanova, A, Qiu, W. | Deposit date: | 2021-10-14 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy. Acs Chem.Biol., 17, 2022
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5J3E
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![BU of 5j3e by Molmil](/molmil-images/mine/5j3e) | Crystal Structure of Human THYN1 protein in complex with 5-methylcytosine containing DNA | Descriptor: | 5-methylcytosine containing DNA, Thymocyte nuclear protein 1, UNKNOWN ATOM OR ION | Authors: | Halabelian, L, Tempel, W, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-30 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Human THYN1 protein in complex with 5-methylcytosine containing DNA To be published
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5JE7
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![BU of 5je7 by Molmil](/molmil-images/mine/5je7) | Human carbonic anhydrase II (F131Y) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-17 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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5JGL
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![BU of 5jgl by Molmil](/molmil-images/mine/5jgl) | Crystal structure of GtmA in complex with S-Adenosylmethionine | Descriptor: | S-ADENOSYLMETHIONINE, SODIUM ION, UbiE/COQ5 family methyltransferase, ... | Authors: | Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Doyle, S. | Deposit date: | 2016-04-20 | Release date: | 2017-03-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus. Open Biol, 7, 2017
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5JG5
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![BU of 5jg5 by Molmil](/molmil-images/mine/5jg5) | Human carbonic anhydrase II (V121T/F131Y) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-19 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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5JGT
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![BU of 5jgt by Molmil](/molmil-images/mine/5jgt) | Human carbonic anhydrase II (F131Y/L198A) complexed with 1,3-thiazole-2-sulfonamide | Descriptor: | 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-20 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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7U0N
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![BU of 7u0n by Molmil](/molmil-images/mine/7u0n) | Crystal structure of chimeric omicron RBD (strain BA.1) complexed with human ACE2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Geng, Q, Shi, K, Ye, G, Zhang, W, Aihara, H, Li, F. | Deposit date: | 2022-02-18 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural Basis for Human Receptor Recognition by SARS-CoV-2 Omicron Variant BA.1. J.Virol., 96, 2022
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7TUY
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![BU of 7tuy by Molmil](/molmil-images/mine/7tuy) | Cryo-EM structure of GSK682753A-bound EBI2/GPR183 | Descriptor: | 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, G-protein coupled receptor 183,Soluble cytochrome b562 fusion, anti-BRIL Fab Heavy chain, ... | Authors: | Chen, H, Huang, W, Li, X. | Deposit date: | 2022-02-03 | Release date: | 2022-04-13 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structures of oxysterol sensor EBI2/GPR183, a key regulator of the immune response. Structure, 30, 2022
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1KD6
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![BU of 1kd6 by Molmil](/molmil-images/mine/1kd6) | Solution structure of the eukaryotic pore-forming cytolysin equinatoxin II | Descriptor: | EQUINATOXIN II | Authors: | Hinds, M.G, Zhang, W, Anderluh, G, Hansen, P.E, Norton, R.S. | Deposit date: | 2001-11-12 | Release date: | 2002-02-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the eukaryotic pore-forming cytolysin equinatoxin II: implications for pore formation. J.Mol.Biol., 315, 2002
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7TIV
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![BU of 7tiv by Molmil](/molmil-images/mine/7tiv) | Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48 | Descriptor: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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