1M4B
 
 | | Crystal Structure of Human Interleukin-2 K43C Covalently Modified at C43 with 2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide | | Descriptor: | 2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE, interleukin-2 | | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | | Deposit date: | 2002-07-02 | | Release date: | 2002-07-31 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Binding of small molecules to an adaptive
protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
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1MNN
 | | Structure of the sporulation specific transcription factor Ndt80 bound to DNA | | Descriptor: | 5'-D(*AP*GP*TP*TP*TP*TP*TP*GP*TP*GP*TP*CP*GP*C)-3', 5'-D(*TP*GP*CP*GP*AP*CP*AP*CP*AP*AP*AP*AP*AP*C)-3', NDT80 protein | | Authors: | Lamoureux, J.S, Stuart, D, Tsang, R, Wu, C, Glover, J.N. | | Deposit date: | 2002-09-05 | | Release date: | 2002-11-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of the sporulation-specific transcription factor Ndt80 bound to DNA
Embo J., 21, 2002
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4B4V
 | | Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor LY354899 | | Descriptor: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, BIFUNCTIONAL PROTEIN FOLD, CHLORIDE ION, ... | | Authors: | Eadsforth, T.C, Maluf, F.V, Hunter, W.N. | | Deposit date: | 2012-08-01 | | Release date: | 2012-08-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and a Re-Evaluation of the Ly374571 Structure.
FEBS J., 279, 2012
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4B4M
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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4KG9
 | | Crystal Structure Of USP7-NTD with MCM-BP | | Descriptor: | Mini-chromosome maintenance complex-binding protein, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Saridakis, V, Luthra, N. | | Deposit date: | 2013-04-29 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A role for USP7 in DNA replication.
Mol.Cell.Biol., 34, 2014
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1M9C
 | | X-ray crystal structure of Cyclophilin A/HIV-1 CA N-terminal domain (1-146) M-type Complex. | | Descriptor: | Cyclophilin A, HIV-1 Capsid | | Authors: | Howard, B.R, Vajdos, F.F, Li, S, Sundquist, W.I, Hill, C.P. | | Deposit date: | 2002-07-28 | | Release date: | 2003-05-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into the catalytic mechanism of cyclophilin A
Nat.Struct.Biol., 10, 2003
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3LG2
 | | A Ykr043C/ fructose-1,6-bisphosphate product complex following ligand soaking | | Descriptor: | PHOSPHATE ION, Uncharacterized protein YKR043C | | Authors: | Singer, A, Xu, X, Cui, H, Dong, A, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-01-19 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
J.Biol.Chem., 285, 2010
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4ASY
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | | Deposit date: | 2012-05-03 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
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4KLS
 | | DNA polymerase beta mismatched reactant complex with Mn2+, 10 min | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*A)-3', ... | | Authors: | Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H. | | Deposit date: | 2013-05-07 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.978 Å) | | Cite: | Observing a DNA polymerase choose right from wrong.
Cell(Cambridge,Mass.), 154, 2013
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3DA6
 | | Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine | | Descriptor: | Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine | | Authors: | Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S. | | Deposit date: | 2008-05-28 | | Release date: | 2009-01-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Bioorg.Med.Chem.Lett., 19, 2009
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8JRJ
 | | Crystal structure of the bat MHC II molecule at 2.8 A resolution | | Descriptor: | ALA-SER-PHE-ILE-ILE-ARG-SER-MET-PRO-GLN-GLU-THR, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | Wang, S. | | Deposit date: | 2023-06-17 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the bat MHC II molecule at 2.8 A resolution
To Be Published
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8JRK
 | | Crystal structure of the bat MHC II molecule at 2.3 A resolution | | Descriptor: | ASN-ASP-ILE-LEU-SER-ARG-LEU-ASP-PRO-PRO-GLU-ALA-SER, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | Wang, S. | | Deposit date: | 2023-06-17 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the bat MHC II molecule at 2.3 A resolution
To Be Published
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8KG2
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1M0I
 | | Crystal Structure of Bacteriophage T7 Endonuclease I with a Wild-Type Active Site | | Descriptor: | SULFATE ION, endodeoxyribonuclease I | | Authors: | Hadden, J.M, Declais, A.C, Phillips, S.E, Lilley, D.M. | | Deposit date: | 2002-06-13 | | Release date: | 2002-12-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Metal ions bound at the active site of the junction-resolving enzyme T7 endonuclease I
Embo J., 21, 2002
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4KQ5
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8K4F
 | | DHODH in complex with compound A0 | | Descriptor: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | | Authors: | Jian, L, Sun, Q. | | Deposit date: | 2023-07-18 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease.
J.Med.Chem., 66, 2023
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8K7Q
 | | Staphylococcus aureus lipase S116A inactive mutant-PSA complex | | Descriptor: | ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kitadokoro, J, Kamitani, S, Kitadokoro, K. | | Deposit date: | 2023-07-27 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Crystal structure of Staphylococcus aureus lipase complex with unsaturated petroselinic acid.
Febs Open Bio, 14, 2024
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8K41
 | | mercuric reductase,GbsMerA, - FAD bound | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)/FAD-dependent oxidoreductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Do, H. | | Deposit date: | 2023-07-17 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Biochemical and structural basis of mercuric reductase, GbsMerA, from Gelidibacter salicanalis PAMC21136.
Sci Rep, 13, 2023
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8K40
 | | mercuric reductase,GbsMerA, - FAD bound | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)/FAD-dependent oxidoreductase | | Authors: | Do, H. | | Deposit date: | 2023-07-17 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Biochemical and structural basis of mercuric reductase, GbsMerA, from Gelidibacter salicanalis PAMC21136.
Sci Rep, 13, 2023
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8JR4
 | | Molecular structure of bat MHC II at 2.4 A resolution | | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, MHC class II histocompatibility antigen, ... | | Authors: | Wang, S. | | Deposit date: | 2023-06-16 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular structure of bat MHC II at 2.4 A resolution
To Be Published
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8K7P
 | | Staphylococcus aureus lipase -PSA complex | | Descriptor: | ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kitadokoro, J, Kamitani, S, Kitadokoro, K. | | Deposit date: | 2023-07-27 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal structure of Staphylococcus aureus lipase complex with unsaturated petroselinic acid.
Febs Open Bio, 14, 2024
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1M7P
 | | Plasmodium Falciparum Triosephosphate isomerase (PfTIM) compled to substrate analog glycerol-3-phosphate (G3P). | | Descriptor: | GLYCERALDEHYDE-3-PHOSPHATE, Triosephosphate Isomerase | | Authors: | Parthasarathy, S, Balaram, H, Balaram, P, Murthy, M.R.N. | | Deposit date: | 2002-07-22 | | Release date: | 2002-11-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of Plasmodium falciparum triosephosphate isomerase complexed to substrate analogues: observation of the catalytic loop in the open conformation in the ligand-bound state.
Acta Crystallogr.,Sect.D, 58, 2002
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1M4U
 | | Crystal structure of Bone Morphogenetic Protein-7 (BMP-7) in complex with the secreted antagonist Noggin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone Morphogenetic Protein-7, Noggin | | Authors: | Groppe, J, Greenwald, J, Wiater, E, Rodriguez-Leon, J, Economides, A.N, Kwiatkowski, W, Affolter, M, Vale, W.W, Izpisua-Belmonte, J.C, Choe, S. | | Deposit date: | 2002-07-03 | | Release date: | 2002-12-18 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural Basis of BMP Signalling Inhibition by the Cystine Knot Protein Noggin
Nature, 420, 2002
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4K59
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8JV0
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