8R8N
 
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8R8O
 | | Hallucinated de novo TIM barrel with three helical extensions - HalluTIM3-1 | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Beck, J, Shanmugaratnam, S, Hocker, B. | | Deposit date: | 2023-11-29 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Diversifying de novo TIM barrels by hallucination.
Protein Sci., 33, 2024
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1W9E
 | | Crystal structure of the PDZ tandem of human syntenin in complex with TNEFYF peptide | | Descriptor: | BENZOIC ACID, SYNTENIN 1, TNEFYF PEPTIDE | | Authors: | Grembecka, J, Cierpicki, T, Devedjiev, Y, Cooper, D.R, Derewenda, U, Derewenda, Z.S. | | Deposit date: | 2004-10-09 | | Release date: | 2006-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The Binding of the Pdz Tandem of Syntenin to Target Proteins.
Biochemistry, 45, 2006
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1W9O
 | | Crystal structure of the PDZ tandem of human syntenin in complex with TNEYYV peptide | | Descriptor: | BENZOIC ACID, SYNTENIN 1, TNEYYV PEPTIDE | | Authors: | Grembecka, J, Cierpicki, T, Devedjiev, Y, Cooper, D.R, Derewenda, U, Derewenda, Z.S. | | Deposit date: | 2004-10-15 | | Release date: | 2006-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Binding of the Pdz Tandem of Syntenin to Target Proteins.
Biochemistry, 45, 2006
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1YBO
 | | Crystal structure of the PDZ tandem of human syntenin with syndecan peptide | | Descriptor: | Syndecan-4, Syntenin 1 | | Authors: | Grembecka, J, Cooper, D.R, Cierpicki, T, Kang, B.S, Devedjiev, Y, Derewenda, Z. | | Deposit date: | 2004-12-21 | | Release date: | 2006-01-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The binding of the PDZ tandem of syntenin to target proteins
Biochemistry, 45, 2006
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7A9K
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7A9F
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7A9M
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6RUH
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6RVE
 | | Co-substituted beta-Keggin bound to Proteinase K solved by MR | | Descriptor: | Co-substituted beta-Keggin, Proteinase K, SULFATE ION, ... | | Authors: | Breibeck, J, Bijelic, A, Rompel, A. | | Deposit date: | 2019-05-31 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization.
Chem.Commun.(Camb.), 55, 2019
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6RVG
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6RUK
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6RUW
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6RUG
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6RUN
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1V1T
 | | Crystal structure of the PDZ tandem of human syntenin in complex with TNEYKV peptide | | Descriptor: | BENZOIC ACID, SYNTENIN 1, TNEYKV PEPTIDE | | Authors: | Grembecka, J, Cierpicki, T, Devedjiev, Y, Cooper, D.R, Derewenda, U, Derewenda, Z.S. | | Deposit date: | 2004-04-23 | | Release date: | 2005-06-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Binding of the Pdz Tandem of Syntenin to Target Proteins.
Biochemistry, 45, 2006
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1W9Q
 | | Crystal structure of the PDZ tandem of human syntenin in complex with TNEFAF peptide | | Descriptor: | BENZOIC ACID, SYNTENIN 1, TNEFAF PEPTIDE | | Authors: | Grembecka, J, Cierpicki, T, Devedjiev, Y, Cooper, D.R, Derewenda, Z.S. | | Deposit date: | 2004-10-15 | | Release date: | 2006-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Binding of the Pdz Tandem of Syntenin to Target Proteins.
Biochemistry, 45, 2006
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3LZI
 | | RB69 DNA Polymerase (Y567A) ternary complex with dATP Opposite 7,8-dihydro-8-oxoguanine | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ... | | Authors: | Wang, M, Beckman, J, Blaha, G, Wang, J, Konigsberg, W.H. | | Deposit date: | 2010-03-01 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Substitution of Ala for Tyr567 in RB69 DNA polymerase allows dAMP to be inserted opposite 7,8-dihydro-8-oxoguanine .
Biochemistry, 49, 2010
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3NAE
 | | RB69 DNA Polymerase (Y567A) Ternary Complex with dATP Opposite Guanidinohydantoin | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ... | | Authors: | Wang, M, Beckman, J, Blaha, G, Wang, J, Konigsberg, W.H. | | Deposit date: | 2010-06-01 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Substitution of Ala for Tyr567 in RB69 DNA Polymerase Allows dAMP and dGMP To Be Inserted opposite Guanidinohydantoin .
Biochemistry, 49, 2010
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3LZJ
 | | RB69 DNA Polymerase (Y567A) ternary complex with dCTP Opposite 7,8-Dihydro-8-oxoguanine | | Descriptor: | CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ... | | Authors: | Wang, M, Beckman, J, Blaha, G, Wang, J, Konigsberg, W.H. | | Deposit date: | 2010-03-01 | | Release date: | 2010-05-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Substitution of Ala for Tyr567 in RB69 DNA polymerase allows dAMP to be inserted opposite 7,8-dihydro-8-oxoguanine .
Biochemistry, 49, 2010
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2J6W
 | | R164N mutant of the RUNX1 Runt domain | | Descriptor: | CHLORIDE ION, RUNT-RELATED TRANSCRIPTION FACTOR 1 | | Authors: | Grembecka, J, Zhe, L, Lukasik, S.M, Liu, Y, Bielnicka, I, Bushweller, J.H, Speck, N.A. | | Deposit date: | 2006-10-04 | | Release date: | 2007-10-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Mutation in the S-Switch Region of the Runt Domain Alters the Dynamics of an Allosteric Network Responsible for Cbfbeta Regulation.
J.Mol.Biol., 364, 2006
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5FZP
 | | Structure of the dispase autolysis inducing protein from Streptomyces mobaraensis | | Descriptor: | CALCIUM ION, DISPASE AUTOLYSIS-INDUCING PROTEIN, GLYCEROL | | Authors: | Schmelz, S, Fiebig, D, Beck, J, Fuchsbauer, H.L, Scrima, A. | | Deposit date: | 2016-03-15 | | Release date: | 2016-08-10 | | Last modified: | 2016-10-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the Dispase Autolysis Inducing Protein from Streptomyces Mobaraensis and Glutamine Cross-Linking Sites for Transglutaminase
J.Biol.Chem., 291, 2016
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5DB0
 | | Menin in complex with MI-352 | | Descriptor: | 1-[(2R)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, 1-[(2S)-2,3-dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1 H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-20 | | Release date: | 2016-03-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
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5DD9
 | | Menin in complex with MI-326 | | Descriptor: | 4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, Menin, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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5DB3
 | | Menin in complex with MI-574 | | Descriptor: | 6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-20 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
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