7WJ3
 
 | | Crystal structure of HLA-C*1402 complexed with 4-mer lipopeptide | | Descriptor: | 1,2-ETHANEDIOL, 4-mer lipopeptide, Beta-2-microglobulin, ... | | Authors: | Kuroha, J, Morita, D, Asa, M, Sugita, M. | | Deposit date: | 2022-01-05 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.56343615 Å) | | Cite: | Crystal structures of N-myristoylated lipopeptide-bound HLA class I complexes indicate reorganization of B-pocket architecture upon ligand binding.
J.Biol.Chem., 298, 2022
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7WT4
 | | Crystal structure of HLA-A*2402 complexed with 8-mer Influenza PB1 peptide | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Asa, M, Morita, D, Sugita, M. | | Deposit date: | 2022-02-03 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.89459145 Å) | | Cite: | Crystal structures of N-myristoylated lipopeptide-bound HLA class I complexes indicate reorganization of B-pocket architecture upon ligand binding.
J.Biol.Chem., 298, 2022
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7WT5
 | | Crystal structure of HLA-A*2450 complexed with 8-mer model peptide | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 8-mer model peptide, ... | | Authors: | Asa, M, Morita, D, Sugita, M. | | Deposit date: | 2022-02-03 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.0950768 Å) | | Cite: | Crystal structures of N-myristoylated lipopeptide-bound HLA class I complexes indicate reorganization of B-pocket architecture upon ligand binding.
J.Biol.Chem., 298, 2022
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8U6Y
 | | Preholo-Proteasome from Beta 3 D205 deletion | | Descriptor: | Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ... | | Authors: | Walsh Jr, R.M, Rawson, S, Velez, B, Blickling, M, Razi, A, Hanna, J. | | Deposit date: | 2023-09-14 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanism of autocatalytic activation during proteasome assembly.
Nat.Struct.Mol.Biol., 2024
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8RJZ
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GUE-3801 (compound 80 in publication) | | Descriptor: | (7~{S})-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-14-fluoranyl-10-(iminomethyl)-9-methyl-7-(phenylmethyl)-2-oxa-6,9,10-triazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, ... | | Authors: | Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. | | Deposit date: | 2023-12-22 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
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7WJ2
 | | Crystal structure of HLA-C*1402 complexed with 8-mer HIV gag peptide | | Descriptor: | 1,2-ETHANEDIOL, 8-mer peptide, ACETATE ION, ... | | Authors: | Kuroha, J, Morita, D, Asa, M, Sugita, M. | | Deposit date: | 2022-01-05 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Crystal structures of N-myristoylated lipopeptide-bound HLA class I complexes indicate reorganization of B-pocket architecture upon ligand binding.
J.Biol.Chem., 298, 2022
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8UY2
 | | Methylenetetrahydrofolate reductase from Chaetomium thermophilum DSM 1495, AdoMet-bound, Inhibited (T) State | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Yamada, K, Mendoza, J, Koutmos, M. | | Deposit date: | 2023-11-12 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Structural basis of S-adenosylmethionine-dependent allosteric transition from active to inactive states in methylenetetrahydrofolate reductase.
Nat Commun, 15, 2024
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7WT3
 | | Crystal structure of HLA-A*2402 complexed with 4-mer lipopeptide | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-mer lipopeptide, ... | | Authors: | Asa, M, Morita, D, Sugita, M. | | Deposit date: | 2022-02-03 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.887655 Å) | | Cite: | Crystal structures of N-myristoylated lipopeptide-bound HLA class I complexes indicate reorganization of B-pocket architecture upon ligand binding.
J.Biol.Chem., 298, 2022
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1UIY
 | | Crystal Structure of Enoyl-CoA Hydratase from Thermus Thermophilus HB8 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Enoyl-CoA Hydratase, GLYCEROL | | Authors: | Bagautdinov, B, Kuramitsu, S, Yokoyama, S, Miyano, M, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-07-24 | | Release date: | 2003-08-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal structure of enoyl-CoA hydratase from Thermus thermophilus HB8.
Acta Crystallogr.,Sect.F, 77, 2021
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8V2F
 | | Crystal structure of IRAK4 kinase domain with compound 9 | | Descriptor: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | Deposit date: | 2023-11-22 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
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7WAF
 | | Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) with ATPgammaS and 4x(beta-Asp-Arg) | | Descriptor: | 4x(beta-Asp-Arg), ARGININE, Cyanophycin synthase, ... | | Authors: | Miyakawa, T, Yang, J, Kawasaki, M, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-07 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
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7WDL
 | | Fungal immunomodulatory protein FIP-nha | | Descriptor: | Fungal immunomodulatory protein | | Authors: | Liu, Y, Bastiaan-Net, S, Zhang, Y, Hoppenbrouwers, T, Xie, Y, Wang, Y, Wei, X, Du, G, Zhang, H, Imam, K.M.S.U, Wichers, H.J, Li, Z. | | Deposit date: | 2021-12-22 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Linking the thermostability of FIP-nha (Nectria haematococca) to its structural properties.
Int.J.Biol.Macromol., 213, 2022
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5XMH
 | | Crystal structure of an IgM rheumatoid factor YES8c in complex with IgG1 Fc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, ... | | Authors: | Shiroishi, M, Shimokawa, K, Lee, J.M, Kusakabe, M, Ueda, T. | | Deposit date: | 2017-05-15 | | Release date: | 2018-03-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-function analyses of a stereotypic rheumatoid factor unravel the structural basis for germline-encoded antibody autoreactivity.
J. Biol. Chem., 293, 2018
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6ENK
 | | The X-ray crystal structure of DesE bound to desferrioxamine B | | Descriptor: | DesE, SODIUM ION, desferrioxamine B | | Authors: | Naismith, J.H, McMahon, S.A, Challis, G.L, Kadi, N, Oke, M, Liu, H, Carter, L.G, Johnson, K.A. | | Deposit date: | 2017-10-05 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Desferrioxamine biosynthesis: diverse hydroxamate assembly by substrate-tolerant acyl transferase DesC.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
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7WAC
 | | Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) | | Descriptor: | Cyanophycin synthase | | Authors: | Kawasaki, M, Miyakawa, T, Yang, J, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
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7WAD
 | | Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) with ATPgammaS | | Descriptor: | Cyanophycin synthase, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Kawasaki, M, Miyakawa, T, Yang, J, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
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8V1O
 | | Crystal structure of IRAK4 kinase domain with compound 4 | | Descriptor: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | Deposit date: | 2023-11-21 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
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8V2L
 | | Crystal structure of IRAK4 kinase domain with compound 8 | | Descriptor: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | Deposit date: | 2023-11-22 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
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7WAE
 | | Trichodesmium erythraeum cyanophycin synthetase 1 (TeCphA1) with ATPgammaS, 4x(beta-Asp-Arg), and aspartate | | Descriptor: | 4x(beta-Asp-Arg), ARGININE, ASPARTIC ACID, ... | | Authors: | Miyakawa, T, Yang, J, Kawasaki, M, Adachi, N, Fujii, A, Miyauchi, Y, Muramatsu, T, Moriya, T, Senda, T, Tanokura, M. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-07 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Structural bases for aspartate recognition and polymerization efficiency of cyanobacterial cyanophycin synthetase.
Nat Commun, 13, 2022
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4OKE
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4OKJ
 | | Crystal structure of RNase AS from M tuberculosis | | Descriptor: | 3'-5' exoribonuclease Rv2179c/MT2234.1, MAGNESIUM ION | | Authors: | Romano, M, van de Weerd, R, Brouwer, F.C.C, Roviello, G.N, Lacroix, R, Sparrius, M, van den Brink-van Stempvoort, G, Maaskant, J.J, van der Sar, A.M, Appelmelk, B.J, Geurtsen, J.J, Berisio, R. | | Deposit date: | 2014-01-22 | | Release date: | 2014-05-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and Function of RNase AS, a Polyadenylate-Specific Exoribonuclease Affecting Mycobacterial Virulence In Vivo
Structure, 22, 2014
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1UKK
 | | Structure of Osmotically Inducible Protein C from Thermus thermophilus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Osmotically Inducible Protein C | | Authors: | Rehse, P.H, Kuramitsu, S, Yokoyama, S, Miyano, M, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-08-24 | | Release date: | 2004-05-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic Structure and Biochemical Analysis of the Thermus thermophilus Osmotically Inducible Protein C
J.MOL.BIOL., 338, 2004
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5OOO
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7OAM
 | | Kinase domain of MERTK in complex with compound 8 | | Descriptor: | 1,2-ETHANEDIOL, 2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide, Tyrosine-protein kinase Mer | | Authors: | Schroeder, M, Russ, N, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-04-19 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase.
J.Med.Chem., 64, 2021
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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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