2A0C
| Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor | Descriptor: | 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL, Cell division protein kinase 2 | Authors: | Krystof, V, McNae, I.W, Walkinshaw, M.D, Fischer, P.M, Muller, P, Vojtesek, B, Orsag, M, Havlicek, L, Strnad, M. | Deposit date: | 2005-06-16 | Release date: | 2006-01-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor Cell.Mol.Life Sci., 62, 2005
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6FZN
| SMURFP-Y56R mutant in complex with biliverdin | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, smURFP | Authors: | Janowski, R, Fuenzalida-Wernera, J.P, Mishra, K, Vetschera, P, Weidenfeld, I, Richter, K, Niessing, D, Ntziachristos, V, Stiel, A.C. | Deposit date: | 2018-03-15 | Release date: | 2018-10-17 | Last modified: | 2019-02-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a biliverdin-bound phycobiliprotein: Interdependence of oligomerization and chromophorylation. J. Struct. Biol., 204, 2018
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3CCN
| X-ray structure of c-Met with triazolopyridazine inhibitor. | Descriptor: | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol, Hepatocyte growth factor receptor | Authors: | Abrecht, B.K, Harmange, J.-C, Bauer, D, Dussault, I, long, A, Bellon, S.F. | Deposit date: | 2008-02-26 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase. J.Med.Chem., 51, 2008
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274D
| CRYSTAL STRUCTURE OF A COVALENT DNA-DRUG ADDUCT: ANTHRAMYCIN BOUND TO C-C-A-A-C-G-T-T-G-G, AND A MOLECULAR EXPLANATION OF SPECIFICITY | Descriptor: | ANTHRAMYCIN, DNA (5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*(DRUG)GP*G)-3') | Authors: | Kopka, M.L, Goodsell, D.S, Baikalov, I, Grzeskowiak, K, Cascio, D, Dickerson, R.E. | Deposit date: | 1994-04-28 | Release date: | 1994-10-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a covalent DNA-drug adduct: anthramycin bound to C-C-A-A-C-G-T-T-G-G and a molecular explanation of specificity. Biochemistry, 33, 1994
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1NYF
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7KFL
| Crystal structure of the cargo-binding domain from the plant class XI myosin (MyoXIk) | Descriptor: | Myosin-17 | Authors: | Turowski, V.R, Ruiz, D.M, Nascimento, A.F.Z, Millan, C, Sammito, M.D, Juanhuix, J, Cremonesi, A.S, Uson, I, Giuseppe, P.O, Murakami, M.T. | Deposit date: | 2020-10-14 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of the class XI myosin globular tail reveals evolutionary hallmarks for cargo recognition in plants. Acta Crystallogr D Struct Biol, 77, 2021
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6SVD
| Non-terahertz irradiated structure of bovine trypsin (even frames of crystal x41) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G. | Deposit date: | 2019-09-18 | Release date: | 2020-01-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties. Sci Rep, 9, 2019
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6SVW
| Reference structure of bovine trypsin (even frames of crystal x33) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G. | Deposit date: | 2019-09-19 | Release date: | 2020-01-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties. Sci Rep, 9, 2019
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6SW0
| Reference structure of bovine trypsin (odd frames of crystal x34) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G. | Deposit date: | 2019-09-19 | Release date: | 2020-01-22 | Last modified: | 2020-01-29 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties. Sci Rep, 9, 2019
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6BJH
| CIRV p19 mutant T111S in complex with siRNA | Descriptor: | RNA (5'-R(P*CP*GP*UP*AP*CP*GP*CP*GP*GP*AP*AP*UP*AP*CP*UP*UP*CP*GP*AP*UP*U)-3'), RNA (5'-R(P*UP*CP*GP*AP*AP*GP*UP*AP*UP*UP*CP*CP*GP*CP*GP*UP*AP*CP*GP*UP*U)-3'), RNA silencing suppressor p19 | Authors: | Foss, D.V, Schirle, N.T, MacRae, I.J, Pezacki, J.P. | Deposit date: | 2017-11-06 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural insights into interactions between viral suppressor of RNA silencing protein p19 mutants and small RNAs. Febs Open Bio, 9, 2019
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7KGX
| Structure of PQS Response Protein PqsE in Complex with 4-(3-(2-methyl-2-morpholinobutyl)ureido)-N-(thiazol-2-yl)benzamide | Descriptor: | 2-aminobenzoylacetyl-CoA thioesterase, 4-({[(2R)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-N-(1,3-thiazol-2-yl)benzamide, FE (III) ION | Authors: | Jeffrey, P.D, Taylor, I.R, Bassler, B.L. | Deposit date: | 2020-10-19 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibitor Mimetic Mutations in the Pseudomonas aeruginosa PqsE Enzyme Reveal a Protein-Protein Interaction with the Quorum-Sensing Receptor RhlR That Is Vital for Virulence Factor Production. Acs Chem.Biol., 16, 2021
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1NRI
| Crystal Structure of Putative Phosphosugar Isomerase HI0754 from Haemophilus influenzae | Descriptor: | Hypothetical protein HI0754 | Authors: | Kim, Y, Quartey, P, Ng, R, Zarembinski, T.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-01-24 | Release date: | 2003-07-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Hypothetical protein HI0754 from Haemophilus influenzae To be Published
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7KGW
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6QXJ
| Structure of MBP-Mcl-1 in complex with compound 6a | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-07 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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2BXF
| Human serum albumin complexed with diazepam | Descriptor: | 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, SERUM ALBUMIN | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | Deposit date: | 2005-07-26 | Release date: | 2005-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol., 353, 2005
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6BWE
| Sortase A from Corynebacterium diphtheriae, lid mutant | Descriptor: | Putative fimbrial associated sortase-like protein | Authors: | Osipiuk, J, Chang, C, Huang, I.H, Ton-That, H, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-12-14 | Release date: | 2017-12-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | In vitro reconstitution of sortase-catalyzed pilus polymerization reveals structural elements involved in pilin cross-linking. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2BFR
| The Macro domain is an ADP-ribose binding module | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HYPOTHETICAL PROTEIN AF1521, MAGNESIUM ION | Authors: | Karras, G.I, Buhecha, H.R, Allen, M.D, Pugieux, C, Sait, F, Bycroft, M, Ladurner, A.G. | Deposit date: | 2004-12-10 | Release date: | 2004-12-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Macro Domain is an Adp-Ribose Binding Module. Embo J., 24, 2005
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1KPB
| PKCI-1-APO | Descriptor: | HUMAN PROTEIN KINASE C INTERACTING PROTEIN 1 (ZINC PROTEIN) | Authors: | Lima, C.D, Klein, M.G, Weinstein, I.B, Hendrickson, W.A. | Deposit date: | 1996-01-06 | Release date: | 1996-07-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-dimensional structure of human protein kinase C interacting protein 1, a member of the HIT family of proteins. Proc.Natl.Acad.Sci.USA, 93, 1996
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1KPA
| PKCI-1-ZINC | Descriptor: | HUMAN PROTEIN KINASE C INTERACTING PROTEIN 1 (ZINC PROTEIN) | Authors: | Lima, C.D, Klein, M.G, Weinstein, I.B, Hendrickson, W.A. | Deposit date: | 1996-01-06 | Release date: | 1996-07-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-dimensional structure of human protein kinase C interacting protein 1, a member of the HIT family of proteins. Proc.Natl.Acad.Sci.USA, 93, 1996
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3CJB
| Actin dimer cross-linked by V. cholerae MARTX toxin and complexed with Gelsolin-segment 1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Sawaya, M.R, Kudryashov, D.S, Pashkov, I, Reisler, E, Yeates, T.O. | Deposit date: | 2008-03-12 | Release date: | 2008-03-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Connecting actin monomers by iso-peptide bond is a toxicity mechanism of the Vibrio cholerae MARTX toxin. Proc.Natl.Acad.Sci.USA, 105, 2008
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1KPC
| PKCI-1-APO+ZINC | Descriptor: | HUMAN PROTEIN KINASE C INTERACTING PROTEIN 1 (ZINC PROTEIN) | Authors: | Lima, C.D, Klein, M.G, Weinstein, I.B, Hendrickson, W.A. | Deposit date: | 1996-01-06 | Release date: | 1996-07-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-dimensional structure of human protein kinase C interacting protein 1, a member of the HIT family of proteins. Proc.Natl.Acad.Sci.USA, 93, 1996
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6C4V
| 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (residues 1350-1461) of Polyketide Synthase Pks13 from Mycobacterium tuberculosis | Descriptor: | Polyketide synthase Pks13, ZINC ION | Authors: | Minasov, G, Brunzelle, J.S, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-01-12 | Release date: | 2018-01-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (residues 1350-1461) of Polyketide Synthase Pks13 from Mycobacterium tuberculosis. To be Published
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1KIV
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2BFQ
| MACRO DOMAINS ARE ADP-RIBOSE BINDING MOLECULES | Descriptor: | HYPOTHETICAL PROTEIN AF1521, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Karras, G.I, Buhecha, H.R, Allen, M.D, Pugieux, C, Sait, F, Bycroft, M, Ladurner, A.G. | Deposit date: | 2004-12-10 | Release date: | 2005-01-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Macro Domain is an Adp-Ribose Binding Module. Embo J., 24, 2005
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1L2H
| Crystal structure of Interleukin 1-beta F42W/W120F mutant | Descriptor: | Interleukin 1-beta | Authors: | Rudolph, M.G, Kelker, M.S, Schneider, T.R, Yeates, T.O, Oseroff, V, Heidary, D.K, Jennings, P.A, Wilson, I.A. | Deposit date: | 2002-02-21 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Use of multiple anomalous dispersion to phase highly merohedrally twinned crystals of interleukin-1beta. Acta Crystallogr.,Sect.D, 59, 2003
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