7Q01
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![BU of 7q01 by Molmil](/molmil-images/mine/7q01) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-10-13 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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7PZX
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![BU of 7pzx by Molmil](/molmil-images/mine/7pzx) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-10-13 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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1UDM
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![BU of 1udm by Molmil](/molmil-images/mine/1udm) | Solution structure of Coactosin-like protein (Cofilin family) from Mus Musculus | Descriptor: | Coactosin-like protein | Authors: | Goroncy, A.K, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-05-01 | Release date: | 2004-05-18 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR solution structures of actin depolymerizing factor homology domains. Protein Sci., 18, 2009
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7ZI1
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![BU of 7zi1 by Molmil](/molmil-images/mine/7zi1) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi1 inhibitor | Descriptor: | Deoxycytidine kinase, N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI3
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![BU of 7zi3 by Molmil](/molmil-images/mine/7zi3) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0642 inhibitor | Descriptor: | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI9
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![BU of 7zi9 by Molmil](/molmil-images/mine/7zi9) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0624 inhibitor | Descriptor: | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI6
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![BU of 7zi6 by Molmil](/molmil-images/mine/7zi6) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0325 inhibitor | Descriptor: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI5
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![BU of 7zi5 by Molmil](/molmil-images/mine/7zi5) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0274 inhibitor | Descriptor: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI2
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![BU of 7zi2 by Molmil](/molmil-images/mine/7zi2) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi2 inhibitor | Descriptor: | Deoxycytidine kinase, N-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI7
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![BU of 7zi7 by Molmil](/molmil-images/mine/7zi7) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0345 inhibitor | Descriptor: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-N-propyl-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZIA
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![BU of 7zia by Molmil](/molmil-images/mine/7zia) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0634 inhibitor | Descriptor: | 2-[2-[[2-methyl-5-[6-(4-methylpiperazin-1-yl)sulfonylpyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZIB
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![BU of 7zib by Molmil](/molmil-images/mine/7zib) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0635 inhibitor | Descriptor: | 2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI8
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![BU of 7zi8 by Molmil](/molmil-images/mine/7zi8) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0602 inhibitor | Descriptor: | 2-[2-[[2-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | Deposit date: | 2022-04-07 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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6HPV
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![BU of 6hpv by Molmil](/molmil-images/mine/6hpv) | Crystal structure of mouse fetuin-B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B | Authors: | Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L. | Deposit date: | 2018-09-22 | Release date: | 2019-02-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition. Iucrj, 6, 2019
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1V6F
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![BU of 1v6f by Molmil](/molmil-images/mine/1v6f) | Solution Structure of Glia Maturation Factor-beta from Mus Musculus | Descriptor: | glia maturation factor, beta | Authors: | Goroncy, A.K, Kigawa, T, Koshiba, S, Tomizawa, T, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-11-29 | Release date: | 2004-05-29 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR solution structures of actin depolymerizing factor homology domains. Protein Sci., 18, 2009
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6K9Y
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![BU of 6k9y by Molmil](/molmil-images/mine/6k9y) | Crystal structure of human VAT-1 | Descriptor: | NITRATE ION, Synaptic vesicle membrane protein VAT-1 homolog | Authors: | Watanabe, Y, Endo, T. | Deposit date: | 2019-06-19 | Release date: | 2020-02-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for interorganelle phospholipid transport mediated by VAT-1. J.Biol.Chem., 295, 2020
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2YS5
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![BU of 2ys5 by Molmil](/molmil-images/mine/2ys5) | Solution structure of the complex of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK | Descriptor: | ALK tyrosine kinase receptor, Fibroblast growth factor receptor substrate 3 | Authors: | Li, H, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-03 | Release date: | 2008-04-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for the recognition of nucleophosmin-anaplastic lymphoma kinase oncoprotein by the phosphotyrosine binding domain of Suc1-associated neurotrophic factor-induced tyrosine-phosphorylated target-2 J.Struct.Funct.Genom., 11, 2010
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2YTY
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![BU of 2yty by Molmil](/molmil-images/mine/2yty) | Solution structure of the fourth cold-shock domain of the human KIAA0885 protein (UNR protein) | Descriptor: | Cold shock domain-containing protein E1 | Authors: | Goroncy, A.K, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-05 | Release date: | 2008-04-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The NMR solution structures of the five constituent cold-shock domains (CSD) of the human UNR (upstream of N-ras) protein. J.Struct.Funct.Genom., 11, 2010
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1WGU
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![BU of 1wgu by Molmil](/molmil-images/mine/1wgu) | Solution Structure of the C-terminal Phosphotyrosine Interaction Domain of APBB2 from Mouse | Descriptor: | amyloid beta (A4) precursor protein-binding, family B, member 2 | Authors: | Li, H, Hayashi, F, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-28 | Release date: | 2004-11-28 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode J.Biol.Chem., 283, 2008
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1WFQ
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![BU of 1wfq by Molmil](/molmil-images/mine/1wfq) | Solution structure of the first cold-shock domain of the human KIAA0885 protein (UNR protein) | Descriptor: | UNR protein | Authors: | Goroncy, A.K, Kigawa, T, Koshiba, S, Tomizawa, T, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-26 | Release date: | 2004-11-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The NMR solution structures of the five constituent cold-shock domains (CSD) of the human UNR (upstream of N-ras) protein. J.Struct.Funct.Genom., 11, 2010
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1X65
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![BU of 1x65 by Molmil](/molmil-images/mine/1x65) | Solution structure of the third cold-shock domain of the human KIAA0885 protein (UNR PROTEIN) | Descriptor: | UNR protein | Authors: | Goroncy, A.K, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-17 | Release date: | 2005-11-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The NMR solution structures of the five constituent cold-shock domains (CSD) of the human UNR (upstream of N-ras) protein. J.Struct.Funct.Genom., 11, 2010
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2ZP0
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![BU of 2zp0 by Molmil](/molmil-images/mine/2zp0) | Human factor viia-tissue factor complexed with benzylsulfonamide-D-ile-gln-P-aminobenzamidine | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide, CALCIUM ION, Factor VII heavy chain, ... | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H. | Deposit date: | 2008-06-20 | Release date: | 2008-07-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Peptide Mimetic Factor VIIa Inhibitor: Importance of Hydrophilic Pocket in S2 Site to Improve Selectivity aganist Thrombin LETT.DRUG DES.DISCOVERY, 2, 2005
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3DV1
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![BU of 3dv1 by Molmil](/molmil-images/mine/3dv1) | Crystal structure of human beta-secretase in complex with NVP-ARV999 | Descriptor: | (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide, Beta-secretase 1 | Authors: | Rondeau, J.-M. | Deposit date: | 2008-07-18 | Release date: | 2009-02-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo. Bioorg.Med.Chem.Lett., 19, 2009
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1X67
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![BU of 1x67 by Molmil](/molmil-images/mine/1x67) | Solution structure of the cofilin homology domain of HIP-55 (drebrin-like protein) | Descriptor: | Drebrin-like protein | Authors: | Goroncy, A.K, Kigawa, T, Koshiba, S, Sato, M, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-17 | Release date: | 2005-11-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR solution structures of actin depolymerizing factor homology domains. Protein Sci., 18, 2009
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1WFS
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![BU of 1wfs by Molmil](/molmil-images/mine/1wfs) | Solution Structure of Glia Maturation Factor-gamma from Mus Musculus | Descriptor: | Glia maturation factor gamma | Authors: | Goroncy, A.K, Kigawa, T, Koshiba, S, Kobayashi, N, Tochio, N, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-26 | Release date: | 2004-11-26 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR solution structures of actin depolymerizing factor homology domains. Protein Sci., 18, 2009
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