1FVV
 
 | | THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR | | Descriptor: | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE, CYCLIN A, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Davis, S.T, Benson, B.G, Bramson, H.N, Chapman, D.E, Dickerson, S.H, Dold, K.M, Eberwein, D.J, Edelstein, M, Frye, S.V, Gampe Jr, R.T, Griffin, R.J, Harris, P.A, Hassell, A.M, Holmes, W.D, Hunter, R.N, Knick, V.B, Lackey, K, Lovejoy, B, Luzzio, M.J, Murray, D, Parker, P, Rocque, W.J, Shewchuk, L, Veal, J.M, Walker, D.H, Kuyper, L.K. | | Deposit date: | 2000-09-20 | | Release date: | 2001-01-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors.
Science, 291, 2001
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3WNT
 | | Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-benzylthioformamide, ... | | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | | Deposit date: | 2013-12-16 | | Release date: | 2014-03-05 | | Last modified: | 2015-04-01 | | Method: | X-RAY DIFFRACTION (2.074 Å) | | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor
Eur.J.Med.Chem., 93, 2015
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4R17
 | | Ligand-induced aziridine-formation at subunit beta5 of the yeast 20S proteasome | | Descriptor: | (2S,3S)-3-methylaziridine-2-carboxylic acid, MAGNESIUM ION, Proteasome subunit alpha type-1, ... | | Authors: | Dubiella, C, Cui, H, Gersch, M, Brouwer, A.J, Sieber, S.A, Krueger, A, Liskamp, R, Groll, M. | | Deposit date: | 2014-08-04 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Selective inhibition of the immunoproteasome by ligand-induced crosslinking of the active site.
Angew.Chem.Int.Ed.Engl., 53, 2014
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3U6X
 | | Phage TP901-1 baseplate tripod | | Descriptor: | BPP, BROMIDE ION, ORF48 | | Authors: | Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V.I, van Sinderen, D, Cambillau, C. | | Deposit date: | 2011-10-13 | | Release date: | 2012-07-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3WNS
 | | Allyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | | Descriptor: | CHLORIDE ION, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | | Deposit date: | 2013-12-16 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.658 Å) | | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor
Eur.J.Med.Chem., 93, 2015
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4QR9
 | | Crystal structure of two HMGB1 Box A domains cooperating to underwind and kink a DNA | | Descriptor: | DNA (5'-D(*AP*TP*AP*TP*CP*GP*AP*TP*AP*T)-3'), High mobility group protein B1, MAGNESIUM ION | | Authors: | Sanchez-Giraldo, R, Acosta-Reyes, F.J, Malarkey, C.S, Saperas, N, Churchill, M.E.A, Campos, J.L. | | Deposit date: | 2014-06-30 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two high-mobility group box domains act together to underwind and kink DNA.
Acta Crystallogr.,Sect.D, 71, 2015
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1K74
 | | The 2.3 Angstrom resolution crystal structure of the heterodimer of the human PPARgamma and RXRalpha ligand binding domains respectively bound with GW409544 and 9-cis retinoic acid and co-activator peptides. | | Descriptor: | (9cis)-retinoic acid, 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID, Peroxisome proliferator activated receptor gamma, ... | | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Moore, L.B, Collins, J.L, Oplinger, J.A, Kliewer, S.A, Gampe Jr, R.T, McKee, D.D, Moore, J.T, Willson, T.M. | | Deposit date: | 2001-10-18 | | Release date: | 2001-12-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1KE8
 | | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE | | Descriptor: | 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F. | | Deposit date: | 2001-11-14 | | Release date: | 2002-05-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
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1FDM
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4Y1H
 | | Crystal structure of K33 linked tri-Ubiquitin | | Descriptor: | 1,2-ETHANEDIOL, Ubiquitin-40S ribosomal protein S27a | | Authors: | Kristariyanto, Y.A, Abdul Rehman, S.A, Choi, S.Y, Ritorto, S, Campbell, D.G, Morrice, N.A, Toth, R, Kulathu, Y. | | Deposit date: | 2015-02-07 | | Release date: | 2015-03-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Assembly and structure of Lys33-linked polyubiquitin reveals distinct conformations.
Biochem.J., 467, 2015
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1AOU
 | | NMR STRUCTURE OF THE FYN SH2 DOMAIN COMPLEXED WITH A PHOSPHOTYROSYL PEPTIDE, 22 STRUCTURES | | Descriptor: | FYN PROTEIN-TYROSINE KINASE, PHOSPHOTYROSYL PEPTIDE | | Authors: | Mulhern, T.D, Shaw, G.L, Morton, C.J, Day, A.J, Campbell, I.D. | | Deposit date: | 1997-07-10 | | Release date: | 1998-01-14 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | The SH2 domain from the tyrosine kinase Fyn in complex with a phosphotyrosyl peptide reveals insights into domain stability and binding specificity.
Structure, 5, 1997
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1AZG
 | | NMR STUDY OF THE SH3 DOMAIN FROM FYN PROTO-ONCOGENE TYROSINE KINASE KINASE COMPLEXED WITH THE SYNTHETIC PEPTIDE P2L CORRESPONDING TO RESIDUES 91-104 OF THE P85 SUBUNIT OF PI3-KINASE, MINIMIZED AVERAGE (PROBMAP) STRUCTURE | | Descriptor: | FYN, PRO-PRO-ARG-PRO-LEU-PRO-VAL-ALA-PRO-GLY-SER-SER-LYS-THR | | Authors: | Renzoni, D.A, Pugh, D.J.R, Siligardi, G, Das, P, Morton, C.J, Rossi, C, Waterfield, M.D, Campbell, I.D, Ladbury, J.E. | | Deposit date: | 1997-11-18 | | Release date: | 1998-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural and thermodynamic characterization of the interaction of the SH3 domain from Fyn with the proline-rich binding site on the p85 subunit of PI3-kinase.
Biochemistry, 35, 1996
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6V2E
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4XYZ
 | | Crystal structure of K33 linked di-Ubiquitin | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, IODIDE ION, ... | | Authors: | Kristariyanto, Y.A, Abdul Rehman, S.A, Choi, S.Y, Ritorto, S, Campbell, D.G, Morrice, N.A, Toth, R, Kulathu, Y. | | Deposit date: | 2015-02-03 | | Release date: | 2015-03-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Assembly and structure of Lys33-linked polyubiquitin reveals distinct conformations.
Biochem.J., 467, 2015
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2FBO
 | | Crystal Structure of the Two Tandem V-type Regions of VCBP3 (v-region-containing chitin binding protein) to 1.85 A | | Descriptor: | variable region-containing chitin-binding protein 3 | | Authors: | Hernandez Prada, J.A, Haire, R.N, Jakoncic, J, Cannon, J.P, Litman, G.W, Ostrov, D.A. | | Deposit date: | 2005-12-09 | | Release date: | 2006-10-17 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Ancient evolutionary origin of diversified variable regions demonstrated by crystal structures of an immune-type receptor in amphioxus
Nat.Immunol., 7, 2006
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1AUL
 | | SOLUTION STRUCTURE OF A HIGHLY STABLE DNA DUPLEX CONJUGATED TO A MINOR GROOVE BINDER, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | DNA (5'-D(*CP*AP*GP*AP*TP*AP*AP*TP*CP*A)-3'), DNA (5'-D(P*THXP*GP*AP*TP*TP*AP*TP*CP*TP*G)-3') | | Authors: | Kumar, S, Reed, M.W, Gamper Junior, H.B, Gorn, V.V, Lukhtanov, E.A, Foti, M, West, J, Meyer Junior, R.B, Schweitzer, B.I. | | Deposit date: | 1997-08-29 | | Release date: | 1997-12-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a highly stable DNA duplex conjugated to a minor groove binder.
Nucleic Acids Res., 26, 1998
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1AOT
 | | NMR STRUCTURE OF THE FYN SH2 DOMAIN COMPLEXED WITH A PHOSPHOTYROSYL PEPTIDE, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | FYN PROTEIN-TYROSINE KINASE, PHOSPHOTYROSYL PEPTIDE | | Authors: | Mulhern, T.D, Shaw, G.L, Morton, C.J, Day, A.J, Campbell, I.D. | | Deposit date: | 1997-07-10 | | Release date: | 1998-01-14 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | The SH2 domain from the tyrosine kinase Fyn in complex with a phosphotyrosyl peptide reveals insights into domain stability and binding specificity.
Structure, 5, 1997
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7QFN
 | | Human Topoisomerase II Beta ATPase ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2-beta, MAGNESIUM ION, ... | | Authors: | Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A. | | Deposit date: | 2021-12-06 | | Release date: | 2022-05-25 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.621 Å) | | Cite: | A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193.
Structure, 30, 2022
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4ZBI
 | | Mcl-1 complexed with small molecules | | Descriptor: | 1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2015-04-14 | | Release date: | 2015-04-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
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7QEA
 | | Crystal structure of fluorescein-di-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | | Descriptor: | (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid, ACETATE ION, SN243, ... | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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7QG4
 | | Apo crystal structure of a mutant of SN243 (D415N) | | Descriptor: | SN243, SULFATE ION, ZINC ION | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-07 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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7QEF
 | | Crystal structure of para-nitrophenyl-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | | Descriptor: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, ACETATE ION, SN243, ... | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-02 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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7QE2
 | | Crystal structure of D-glucuronic acid bound to SN243 | | Descriptor: | ACETATE ION, SN243, SULFATE ION, ... | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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7QE1
 | | Crystal structure of apo SN243 | | Descriptor: | SN243, ZINC ION | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-12 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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4Z8I
 | | Crystal structure of Branchiostoma belcheri tsingtauense peptidoglycan recognition protein 3 | | Descriptor: | ZINC ION, peptidoglycan recognition protein 3 | | Authors: | Wang, W.J, Cheng, W, Jiang, Y.L, Luo, M, Cao, D.D, Chi, C.B, Yang, H.B, Chen, Y, Zhou, C.Z. | | Deposit date: | 2015-04-09 | | Release date: | 2015-10-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Activity Augmentation of Amphioxus Peptidoglycan Recognition Protein BbtPGRP3 via Fusion with a Chitin Binding Domain
Plos One, 10, 2015
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