2JRH
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![BU of 2jrh by Molmil](/molmil-images/mine/2jrh) | |
1MHW
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![BU of 1mhw by Molmil](/molmil-images/mine/1mhw) | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides | Descriptor: | 4-biphenylacetyl-Cys-(D)Arg-Tyr-N-(2-phenylethyl) amide, Cathepsin L | Authors: | Chowdhury, S, Sivaraman, J, Wang, J, Devanathan, G, Lachance, P, Qi, H, Menard, R, Lefebvre, J, Konishi, Y, Cygler, M, Sulea, T, Purisima, E.O. | Deposit date: | 2002-08-21 | Release date: | 2002-12-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides J.Med.Chem., 45, 2002
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3KV4
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![BU of 3kv4 by Molmil](/molmil-images/mine/3kv4) | Structure of PHF8 in complex with histone H3 | Descriptor: | 1,2-ETHANEDIOL, FE (II) ION, Histone H3-like, ... | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | Deposit date: | 2009-11-29 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases. Nat.Struct.Mol.Biol., 17, 2010
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3KV6
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![BU of 3kv6 by Molmil](/molmil-images/mine/3kv6) | Structure of KIAA1718, human Jumonji demethylase, in complex with alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1D, ... | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | Deposit date: | 2009-11-29 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases. Nat.Struct.Mol.Biol., 17, 2010
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3KVB
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![BU of 3kvb by Molmil](/molmil-images/mine/3kvb) | Structure of KIAA1718 Jumonji domain in complex with N-oxalylglycine | Descriptor: | JmjC domain-containing histone demethylation protein 1D, N-OXALYLGLYCINE, NICKEL (II) ION, ... | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | Deposit date: | 2009-11-29 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases. Nat.Struct.Mol.Biol., 17, 2010
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3KVA
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![BU of 3kva by Molmil](/molmil-images/mine/3kva) | Structure of KIAA1718 Jumonji domain in complex with alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1D, ... | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | Deposit date: | 2009-11-29 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases. Nat.Struct.Mol.Biol., 17, 2010
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3VJR
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![BU of 3vjr by Molmil](/molmil-images/mine/3vjr) | Crystal structure of Peptidyl-tRNA hydrolase from Escherichia coli in complex with the CCA-acceptor-T[PSI]C domain of tRNA | Descriptor: | Peptidyl-tRNA hydrolase, tRNA CCA-acceptor | Authors: | Ito, K, Murakami, R, Mochizuki, M, Qi, H, Shimizu, Y, Miura, K.I, Ueda, T, Uchiumi, T. | Deposit date: | 2011-10-28 | Release date: | 2012-09-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the substrate recognition and catalysis of peptidyl-tRNA hydrolase. Nucleic Acids Res., 40, 2012
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5DE1
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![BU of 5de1 by Molmil](/molmil-images/mine/5de1) | Crystal structure of human IDH1 in complex with GSK321A | Descriptor: | (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Concha, N.O, Smallwood, A, Qi, H. | Deposit date: | 2015-08-25 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | New IDH1 mutant inhibitors for treatment of acute myeloid leukemia. Nat.Chem.Biol., 11, 2015
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8WJY
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![BU of 8wjy by Molmil](/molmil-images/mine/8wjy) | PKMYT1_Cocrystal_Cpd 4 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | Authors: | Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A. | Deposit date: | 2023-09-26 | Release date: | 2023-11-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer. J.Med.Chem., 67, 2024
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3KV5
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![BU of 3kv5 by Molmil](/molmil-images/mine/3kv5) | Structure of KIAA1718, human Jumonji demethylase, in complex with N-oxalylglycine | Descriptor: | FE (II) ION, JmjC domain-containing histone demethylation protein 1D, N-OXALYLGLYCINE, ... | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | Deposit date: | 2009-11-29 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases. Nat.Struct.Mol.Biol., 17, 2010
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3KV9
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![BU of 3kv9 by Molmil](/molmil-images/mine/3kv9) | Structure of KIAA1718 Jumonji domain | Descriptor: | FE (II) ION, JmjC domain-containing histone demethylation protein 1D, OXYGEN MOLECULE | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | Deposit date: | 2009-11-29 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases. Nat.Struct.Mol.Biol., 17, 2010
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4CXT
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![BU of 4cxt by Molmil](/molmil-images/mine/4cxt) | BTB domain of KEAP1 in complex with CDDO | Descriptor: | (13alpha,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Cleasby, A, Yon, J, Day, P.J, Richardson, C, Tickle, I.J, Williams, P.A, Callahan, J.F, Carr, R, Concha, N, Kerns, J.K, Qi, H, Sweitzer, T, Ward, P, Davies, T.G. | Deposit date: | 2014-04-08 | Release date: | 2014-06-18 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo. Plos One, 9, 2014
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4CXJ
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![BU of 4cxj by Molmil](/molmil-images/mine/4cxj) | BTB domain of KEAP1 C151W mutant | Descriptor: | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Cleasby, A, Yon, J, Day, P.J, Richardson, C, Tickle, I.J, Williams, P.A, Callahan, J.F, Carr, R, Concha, N, Kerns, J.K, Qi, H, Sweitzer, T, Ward, P, Davies, T.G. | Deposit date: | 2014-04-07 | Release date: | 2014-06-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo. Plos One, 9, 2014
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4CXI
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![BU of 4cxi by Molmil](/molmil-images/mine/4cxi) | BTB domain of KEAP1 | Descriptor: | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Cleasby, A, Yon, J, Day, P.J, Richardson, C, Tickle, I.J, Williams, P.A, Callahan, J.F, Carr, R, Concha, N, Kerns, J.K, Qi, H, Sweitzer, T, Ward, P, Davies, T.G. | Deposit date: | 2014-04-07 | Release date: | 2014-06-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo. Plos One, 9, 2014
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