7T1T
 
 | | JAK2 JH2 IN COMPLEX WITH JAK292 | | Descriptor: | (2S)-2-[({4-[(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}carbamoyl)amino]-4-phenylbutanoic acid, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Ippolito, J.A, Henry, S, Krimmer, S.G, Schlessinger, J, Jorgensen, W.L. | | Deposit date: | 2021-12-02 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Conversion of a False Virtual Screen Hit into Selective JAK2 JH2 Domain Binders Using Convergent Design Strategies
Acs Med.Chem.Lett., 13, 2022
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7T0P
 | | JAK2 JH2 IN COMPLEX WITH JAK315 | | Descriptor: | 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Ippolito, J.A, Liosi, M.-E, Krimmer, S.G, Schlessinger, J, Jorgensen, W.L. | | Deposit date: | 2021-11-30 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands.
J.Med.Chem., 65, 2022
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1WBP
 | | SRPK1 bound to 9mer docking motif peptide | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, MEMBRANE-ASSOCIATED GUANYLATE KINASE, ... | | Authors: | Ngo, J.C, Gullinsgrud, J, Chakrabarti, S, Nolen, B, Aubol, B.E, Fu, X.-D, Adams, J.A, McCammon, J.A, Ghosh, G. | | Deposit date: | 2004-11-04 | | Release date: | 2005-10-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Interplay between Srpk and Clk/Sty Kinases in Phosphorylation of the Splicing Factor Asf/Sf2 is Regulated by a Docking Motif in Asf/Sf2
Mol.Cell, 20, 2005
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7SZU
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1FKK
 | | ATOMIC STRUCTURE OF FKBP12, AN IMMUNOPHILIN BINDING PROTEIN | | Descriptor: | FK506 BINDING PROTEIN, SULFATE ION | | Authors: | Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A. | | Deposit date: | 1995-08-18 | | Release date: | 1995-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
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1FSE
 | | CRYSTAL STRUCTURE OF THE BACILLUS SUBTILIS REGULATORY PROTEIN GERE | | Descriptor: | GERE, GLYCEROL, SULFATE ION | | Authors: | Ducros, V.M.-A, Lewis, R.J, Verma, C.S, Dodson, E.J, Leonard, G, Turkenburg, J.P, Murshudov, G.N, Wilkinson, A.J, Brannigan, J.A. | | Deposit date: | 2000-09-08 | | Release date: | 2001-03-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of GerE, the ultimate transcriptional regulator of spore formation in Bacillus subtilis.
J.Mol.Biol., 306, 2001
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1FLJ
 | | CRYSTAL STRUCTURE OF S-GLUTATHIOLATED CARBONIC ANHYDRASE III | | Descriptor: | CARBONIC ANHYDRASE III, GLUTATHIONE, ZINC ION | | Authors: | Mallis, R.J, Poland, B.W, Chatterjee, T.K, Fisher, R.A, Darmawan, S, Honzatko, R.B, Thomas, J.A. | | Deposit date: | 2000-08-14 | | Release date: | 2000-09-04 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of S-glutathiolated carbonic anhydrase III.
FEBS Lett., 482, 2000
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7THB
 | | Crystal structure of an RNA-5'/DNA-3' strand exchange junction | | Descriptor: | DNA (5'-D(*GP*AP*TP*GP*CP*TP*C)-3'), DNA (5'-D(*GP*TP*AP*AP*GP*CP*AP*GP*CP*AP*TP*C)-3'), RNA (5'-R(*AP*GP*CP*UP*UP*AP*C)-3') | | Authors: | Cofsky, J.C, Knott, G.J, Gee, C.L, Doudna, J.A. | | Deposit date: | 2022-01-10 | | Release date: | 2022-04-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of an RNA/DNA strand exchange junction.
Plos One, 17, 2022
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1FDH
 | | STRUCTURE OF HUMAN FOETAL DEOXYHAEMOGLOBIN | | Descriptor: | HEMOGLOBIN F (DEOXY) (ALPHA CHAIN), HEMOGLOBIN F (DEOXY) (GAMMA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Frierjunior, J.A. | | Deposit date: | 1976-08-18 | | Release date: | 1976-08-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of human foetal deoxyhaemoglobin.
J.Mol.Biol., 112, 1977
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1FKL
 | | ATOMIC STRUCTURE OF FKBP12-RAPAYMYCIN, AN IMMUNOPHILIN-IMMUNOSUPPRESSANT COMPLEX | | Descriptor: | FK506 BINDING PROTEIN, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | Authors: | Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A. | | Deposit date: | 1995-08-18 | | Release date: | 1995-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
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1FKJ
 | | ATOMIC STRUCTURE OF FKBP12-FK506, AN IMMUNOPHILIN IMMUNOSUPPRESSANT COMPLEX | | Descriptor: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN | | Authors: | Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A. | | Deposit date: | 1995-08-18 | | Release date: | 1995-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
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1G5H
 | | CRYSTAL STRUCTURE OF THE ACCESSORY SUBUNIT OF MURINE MITOCHONDRIAL POLYMERASE GAMMA | | Descriptor: | GLYCEROL, MITOCHONDRIAL DNA POLYMERASE ACCESSORY SUBUNIT, SODIUM ION | | Authors: | Carrodeguas, J.A, Theis, K, Bogenhagen, D.F, Kisker, C. | | Deposit date: | 2000-11-01 | | Release date: | 2001-03-14 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure and deletion analysis show that the accessory subunit of mammalian DNA polymerase gamma, Pol gamma B, functions as a homodimer.
Mol.Cell, 7, 2001
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1G39
 | | WILD-TYPE HNF-1ALPHA DIMERIZATION DOMAIN | | Descriptor: | HEPATOCYTE NUCLEAR FACTOR 1-ALPHA | | Authors: | Rose, R.B, Endrizzi, J.A, Cronk, J.D, Holton, J, Alber, T. | | Deposit date: | 2000-10-23 | | Release date: | 2001-01-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | High-resolution structure of the HNF-1alpha dimerization domain.
Biochemistry, 39, 2000
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1G5I
 | | CRYSTAL STRUCTURE OF THE ACCESSORY SUBUNIT OF MURINE MITOCHONDRIAL POLYMERASE GAMMA | | Descriptor: | GLYCEROL, MITOCHONDRIAL DNA POLYMERASE ACCESSORY SUBUNIT, SODIUM ION | | Authors: | Carrodeguas, J.A, Theis, K, Bogenhagen, D.F, Kisker, C. | | Deposit date: | 2000-11-01 | | Release date: | 2001-03-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure and deletion analysis show that the accessory subunit of mammalian DNA polymerase gamma, Pol gamma B, functions as a homodimer.
Mol.Cell, 7, 2001
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7TVA
 | | Stat5a Core in complex with AK2292 | | Descriptor: | DI(HYDROXYETHYL)ETHER, MALONATE ION, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, ... | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2022-02-04 | | Release date: | 2023-02-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.835 Å) | | Cite: | A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
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7TVB
 | | Stat5A Core in Complex with AK305 | | Descriptor: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, Signal transducer and activator of transcription 5A | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2022-02-04 | | Release date: | 2023-02-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.653 Å) | | Cite: | A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
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1G2Y
 | | HNF-1ALPHA DIMERIZATION DOMAIN, WITH SELENOMETHIONINE SUBSTITUED AT LEU 12 | | Descriptor: | HEPATOCYTE NUCLEAR FACTOR 1-ALPHA | | Authors: | Rose, R.B, Endrizzi, J.A, Cronk, J.D, Holton, J, Alber, T. | | Deposit date: | 2000-10-23 | | Release date: | 2001-01-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | High-resolution structure of the HNF-1alpha dimerization domain.
Biochemistry, 39, 2000
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7U4R
 | | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | | Descriptor: | 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10 | | Authors: | Gannam, Z.T.K, Jamali, H, Gentzel, E, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | | Deposit date: | 2022-02-28 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
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7UM3
 | | Crystal structure of a Fab in complex with a peptide derived from the LAG-3 D1 domain loop insertion | | Descriptor: | D1 domain loop peptide from Lymphocyte activation gene 3 protein, Fab heavy chain, Fab light chain | | Authors: | Zorn, J.A, Lee, P.S, Rajpal, A, Strop, P. | | Deposit date: | 2022-04-06 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3983 Å) | | Cite: | Preclinical Characterization of Relatlimab, a Human LAG-3-Blocking Antibody, Alone or in Combination with Nivolumab.
Cancer Immunol Res, 10, 2022
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7UMV
 | | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydropyrido[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | | Descriptor: | 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, ACETATE ION, Dual specificity protein phosphatase 10 | | Authors: | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | | Deposit date: | 2022-04-07 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
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7UN0
 | | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | | Descriptor: | 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one, Dual specificity protein phosphatase 10 | | Authors: | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | | Deposit date: | 2022-04-08 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
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7UL6
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7UN4
 | | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | | Descriptor: | 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, Dual specificity protein phosphatase 10 | | Authors: | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | | Deposit date: | 2022-04-08 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
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1G2Z
 | | DIMERIZATION DOMAIN OF HNF-1ALPHA WITH A LEU 13 SELENOMETHIONINE SUBSTITUTION | | Descriptor: | HEPATOCYTE NUCLEAR FACTOR 1-ALPHA | | Authors: | Rose, R.B, Endrizzi, J.A, Cronk, J.D, Holton, J, Alber, T. | | Deposit date: | 2000-10-23 | | Release date: | 2001-01-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | High-resolution structure of the HNF-1alpha dimerization domain.
Biochemistry, 39, 2000
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7UMU
 | | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | | Descriptor: | 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dual specificity protein phosphatase 10 | | Authors: | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | | Deposit date: | 2022-04-07 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
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