3L8N
 
 | | Crystal Structure of a domain of Brefeldin A-inhibited guanine nucleotide-exchange protein 2 (BrefeldinA-inhibited GEP 2) from Homo sapiens (Human). Northeast Structural Genomics Consortium target id HR5562A | | Descriptor: | Brefeldin A-inhibited guanine nucleotide-exchange protein 2 | | Authors: | Seetharaman, J, Su, M, Forouhar, F, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-12-31 | | Release date: | 2010-04-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Crystal Structure of a domain of Brefeldin A-inhibited guanine nucleotide-exchange protein 2 (BrefeldinA-inhibited GEP 2) from Homo sapiens (Human). Northeast Structural Genomics Consortium target id HR5562A
To be Published
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1T4J
 | | Allosteric Inhibition of Protein Tyrosine Phosphatase 1B | | Descriptor: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K. | | Deposit date: | 2004-04-29 | | Release date: | 2004-07-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
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4G0O
 | | Crystal structure of Arabidopsis thaliana AGO5 MID domain | | Descriptor: | Protein argonaute 5, SULFATE ION | | Authors: | Frank, F, Hauver, J, Sonenberg, N, Nagar, B. | | Deposit date: | 2012-07-09 | | Release date: | 2012-07-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.186 Å) | | Cite: | Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs.
Embo J., 31, 2012
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7JG3
 | | Human GAR transformylase in complex with GAR substrate and AGF103 inhibitor | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-L-glutamic acid, SODIUM ION, ... | | Authors: | Wong-Roushar, J, Dann III, C.E. | | Deposit date: | 2020-07-18 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
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7JG4
 | | Human GAR transformylase in complex with GAR substrate and AGF131 inhibitor | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-(5-{3-[(1S,7R,8R,9S)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-L-glutamic acid, SODIUM ION, ... | | Authors: | Wong-Roushar, J, Dann III, C.E. | | Deposit date: | 2020-07-18 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.455 Å) | | Cite: | Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
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7JG0
 | | Human GAR transformylase in complex with GAR substrate and AGF102 inhibitor | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Wong-Roushar, J, Dann III, C.E. | | Deposit date: | 2020-07-18 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.984 Å) | | Cite: | Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
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7MWL
 | | The TAM domain of BAZ2A in complex with a 12mer mCG DNA | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), GLYCEROL | | Authors: | Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-05-17 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The TAM domain of BAZ2A in complex with a 12mer mCG DNA
To Be Published
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1AIX
 | | HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROVAL | | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ... | | Authors: | Skordalakes, E, Dodson, G, Elgendy, S, Goodwin, C.A, Green, D, Tyrrel, R, Scully, M.F, Freyssinet, J, Kakkar, V.V, Deadman, J. | | Deposit date: | 1997-04-30 | | Release date: | 1997-10-15 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships.
Protein Sci., 1, 1992
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7C84
 | | Esterase AlinE4 mutant, D162A | | Descriptor: | ACETATE ION, CADMIUM ION, GLYCEROL, ... | | Authors: | Li, Z, Li, J. | | Deposit date: | 2020-05-28 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.552 Å) | | Cite: | Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
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4ORB
 | | Crystal structure of mouse calcineurin | | Descriptor: | CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ... | | Authors: | Ma, L, Li, S.J, Wang, J, Wu, J.W, Wang, Z.X. | | Deposit date: | 2014-02-11 | | Release date: | 2015-05-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.108 Å) | | Cite: | Cooperative autoinhibition and multi-level activation mechanisms of calcineurin
To be Published
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7CBI
 | | Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate, GLYCEROL, ... | | Authors: | Guo, J, Chen, B, Zhou, H. | | Deposit date: | 2020-06-12 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
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4CNG
 | | Crystal structure of Sulfolobus acidocaldarius TrmJ in complex with S-adenosyl-L-Homocysteine | | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, SPOU RRNA METHYLASE | | Authors: | Van Laer, B, Somme, J, Roovers, M, Steyaert, J, Droogmans, L, Versees, W. | | Deposit date: | 2014-01-22 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Characterization of Two Homologous 2'-O-Methyltransferases Showing Different Specificities for Their tRNA Substrates.
RNA, 20, 2014
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4G9J
 | | Protein Ser/Thr phosphatase-1 in complex with cell-permeable peptide | | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit, synthetic peptide | | Authors: | Sukackaite, R, Chatterjee, J, Beullens, M, Bollen, M, Koehn, M, Hart, D.J. | | Deposit date: | 2012-07-24 | | Release date: | 2012-09-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Development of a Peptide that Selectively Activates Protein Phosphatase-1 in Living Cells.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4ORC
 | | Crystal structure of mammalian calcineurin | | Descriptor: | CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ... | | Authors: | Ma, L, Li, S.J, Wang, J, Wu, J.W, Wang, Z.X. | | Deposit date: | 2014-02-11 | | Release date: | 2015-05-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Cooperative autoinhibition and multi-level activation mechanisms of calcineurin
To be Published
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7MEM
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6R7U
 | | Selenomethionine variant of Tannerella forsythia promirolysin mutant E225A | | Descriptor: | BORIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Rodriguez-Banqueri, A, Guevara, T, Ksiazek, M, Potempa, J, Gomis-Ruth, F.X. | | Deposit date: | 2019-03-29 | | Release date: | 2020-02-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based mechanism of cysteine-switch latency and of catalysis by pappalysin-family metallopeptidases.
Iucrj, 7, 2020
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3LDS
 | | Crystal structure of RB69 gp43 with DNA and dATP opposite 8-oxoG | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*(8OG)P*CP*TP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*AP*(DDG))-3'), ... | | Authors: | Hogg, M, Midkiff, J, Rudnicki, J, Reha-Krantz, L, Doublie, S, Wallace, S.S. | | Deposit date: | 2010-01-13 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Kinetics of mismatch formation opposite lesions by the replicative DNA polymerase from bacteriophage RB69.
Biochemistry, 49, 2010
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4GI5
 | | Crystal Structure Of a Putative quinone reductase from Klebsiella pneumoniae (Target PSI-013613) | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Kumar, P.R, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Gizzi, A, Glen, S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Washington, E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-08-08 | | Release date: | 2012-08-22 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of a quinone reductase from Klebsiella pneumoniae with bound FAD
to be published
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7YLM
 | | Cryo-EM structure of 8-subunit Smc5/6 hinge region | | Descriptor: | MMS21 isoform 1, SMC6 isoform 1, Structural maintenance of chromosomes protein 5 | | Authors: | Qian, L, Jun, Z, Xiang, Z, Wang, Z, Tong, C, Duo, J, Zhenguo, C, Wang, L. | | Deposit date: | 2022-07-26 | | Release date: | 2024-01-31 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (6.17 Å) | | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
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7M4T
 | | Menin bound to M-1121 | | Descriptor: | Menin, methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate, praseodymium triacetate | | Authors: | Stuckey, J. | | Deposit date: | 2021-03-22 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression.
J.Med.Chem., 64, 2021
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3LJK
 | | Glucose-6-phosphate isomerase from Francisella tularensis. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Osipiuk, J, Maltseva, N, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-01-26 | | Release date: | 2010-03-16 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | X-ray crystal structure of glucose-6-phosphate isomerase from Francisella tularensis.
To be Published
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6R7V
 | | Tannerella forsythia promirolysin mutant E225A | | Descriptor: | CALCIUM ION, GLYCEROL, Mirolysin, ... | | Authors: | Rodriguez-Banqueri, A, Guevara, T, Ksiazek, M, Potempa, J, Gomis-Ruth, F.X. | | Deposit date: | 2019-03-29 | | Release date: | 2019-11-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-based mechanism of cysteine-switch latency and of catalysis by pappalysin-family metallopeptidases.
Iucrj, 7, 2020
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4G0Z
 | | Crystal structure of Arabidopsis thaliana AGO1 MID domain in complex with GMP | | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Protein argonaute 1 | | Authors: | Frank, F, Hauver, J, Sonenberg, N, Nagar, B. | | Deposit date: | 2012-07-10 | | Release date: | 2012-07-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Arabidopsis Argonaute MID domains use their nucleotide specificity loop to sort small RNAs.
Embo J., 31, 2012
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7CFM
 | | Cryo-EM structure of the P395-bound GPBAR-Gs complex | | Descriptor: | 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide, CHOLESTEROL, G-protein coupled bile acid receptor 1, ... | | Authors: | Yang, F, Mao, C, Guo, L, Lin, J, Ming, Q, Xiao, P, Wu, X, Shen, Q, Guo, S, Shen, D, Lu, R, Zhang, L, Huang, S, Ping, Y, Zhang, C, Ma, C, Zhang, K, Liang, X, Shen, Y, Nan, F, Yi, F, Luca, V, Zhou, J, Jiang, C, Sun, J, Xie, X, Yu, X, Zhang, Y. | | Deposit date: | 2020-06-27 | | Release date: | 2020-09-09 | | Last modified: | 2020-12-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of GPBAR activation and bile acid recognition.
Nature, 587, 2020
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7CHE
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