PDB: 93172 resultsInfo pagesStatus searchChemie searchBIRD

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4RRJ	Y115A mutant of N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Ser3AA Descriptor: Probable threonine--tRNA ligase 2, SERINE-3'-AMINOADENOSINE Authors: Ahmad, S, Muthukumar, S, Sankaranarayanan, R. Deposit date: 2014-11-06 Release date: 2015-07-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
7BBF	Crystal structure of ubiquitin charged Ube2N (Ube2N~Ub) in complex with Ube2V2 Descriptor: Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2 Authors: Kiss, L, Neuhaus, D, James, L.C. Deposit date: 2020-12-17 Release date: 2021-01-27 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (2.54 Å) Cite: RING domains act as both substrate and enzyme in a catalytic arrangement to drive self-anchored ubiquitination. Nat Commun, 12, 2021
4RRM	E129A mutant of N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Thr3AA Descriptor: 3'-deoxy-3'-(L-threonylamino)adenosine, CHLORIDE ION, MAGNESIUM ION, ... Authors: Ahmad, S, Muthukumar, S, Sankaranarayanan, R. Deposit date: 2014-11-06 Release date: 2015-07-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
4RRV	Crystal structure of PDK1 in complex with ATP and PIFtide Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... Authors: Rettenmaier, T.J, Wells, J.A. Deposit date: 2014-11-06 Release date: 2014-12-17 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.412 Å) Cite: A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1. Proc.Natl.Acad.Sci.USA, 111, 2014
7JNY	Crystal structure of CXCL13 Descriptor: C-X-C motif chemokine 13 Authors: Rosenberg Jr, E.M, Rajasekaran, D, Murphy, J.W, Pantouris, G, Lolis, E.J. Deposit date: 2020-08-05 Release date: 2020-10-07 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.88 Å) Cite: The N-terminal length and side-chain composition of CXCL13 affect crystallization, structure and functional activity. Acta Crystallogr D Struct Biol, 76, 2020
1JV2	CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN ALPHAVBETA3 Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Xiong, J.P, Stehle, T, Diefenbach, B, Zhang, R, Dunker, R, Scott, D, Joachimiak, A, Goodman, S.L, Arnaout, M.A. Deposit date: 2001-08-28 Release date: 2001-10-17 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Crystal structure of the extracellular segment of integrin alpha Vbeta3. Science, 294, 2001
2NSY	CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS IN COMPLEX WITH NAD-ADENYLATE Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... Authors: Rizzi, M, Bolognesi, M, Coda, A. Deposit date: 1998-07-14 Release date: 1999-01-13 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: A novel deamido-NAD+-binding site revealed by the trapped NAD-adenylate intermediate in the NAD+ synthetase structure. Structure, 6, 1998
8BUM	Structure of DDB1 bound to DS15-engaged CDK12-cyclin K Descriptor: (2R)-2-[[6-(5-naphthalen-1-ylpentylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... Authors: Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. Deposit date: 2022-11-30 Release date: 2023-09-20 Last modified: 2024-01-03 Method: X-RAY DIFFRACTION (3.36 Å) Cite: Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
2GNC	Crystal structure of srGAP1 SH3 domain in the slit-robo signaling pathway Descriptor: SLIT-ROBO Rho GTPase-activating protein 1 Authors: Li, X, Liu, Y, Gao, F, Bartlam, M, Wu, J.Y, Rao, Z. Deposit date: 2006-04-10 Release date: 2006-07-18 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural Basis of Robo Proline-rich Motif Recognition by the srGAP1 Src Homology 3 Domain in the Slit-Robo Signaling Pathway J.Biol.Chem., 281, 2006
8BU7	Structure of DDB1 bound to 21195-engaged CDK12-cyclin K Descriptor: 1,2-ETHANEDIOL, 1-[2,6-bis(chloranyl)phenyl]-6-[[4-(2-hydroxyethyloxy)phenyl]methyl]-3-propan-2-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one, Cyclin-K, ... Authors: Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. Deposit date: 2022-11-30 Release date: 2023-09-13 Last modified: 2024-01-03 Method: X-RAY DIFFRACTION (3.245 Å) Cite: Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
8BUN	Structure of DDB1 bound to DS16-engaged CDK12-cyclin K Descriptor: (2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... Authors: Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. Deposit date: 2022-11-30 Release date: 2023-09-13 Last modified: 2024-01-03 Method: X-RAY DIFFRACTION (3.08 Å) Cite: Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
3UHN	HBI (F80Y) deoxy Descriptor: Globin-1, PROTOPORPHYRIN IX CONTAINING FE Authors: Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. Deposit date: 2011-11-03 Release date: 2011-12-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures. Proc.Natl.Acad.Sci.USA, 109, 2012
2NU7	C123aS Mutant of E. coli Succinyl-CoA Synthetase Descriptor: COENZYME A, PHOSPHATE ION, SULFATE ION, ... Authors: Fraser, M.E. Deposit date: 2006-11-08 Release date: 2007-07-24 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Participation of Cys 123alpha of Escherichia coli Succinyl-CoA Synthetase in Catalysis ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2HX9	Crystal structure of Cu(I) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM", at pH4 Descriptor: Azurin, COPPER (I) ION Authors: Banfield, M.J. Deposit date: 2006-08-03 Release date: 2007-01-30 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Engineering Copper Sites in Proteins: Loops Confer Native Structures and Properties to Chimeric Cupredoxins. J.Am.Chem.Soc., 129, 2007
2HX7	Crystal structure of Cu(II) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM" Descriptor: Azurin, COPPER (II) ION Authors: Banfield, M.J. Deposit date: 2006-08-03 Release date: 2007-01-30 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Engineering Copper Sites in Proteins: Loops Confer Native Structures and Properties to Chimeric Cupredoxins. J.Am.Chem.Soc., 129, 2007
2HX8	Crystal structure of Cu(I) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM", at pH5 Descriptor: Azurin, COPPER (I) ION Authors: Banfield, M.J. Deposit date: 2006-08-03 Release date: 2007-01-30 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Engineering Copper Sites in Proteins: Loops Confer Native Structures and Properties to Chimeric Cupredoxins. J.Am.Chem.Soc., 129, 2007
3UHR	HBI (L36F) deoxy Descriptor: Globin-1, PROTOPORPHYRIN IX CONTAINING FE Authors: Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. Deposit date: 2011-11-03 Release date: 2011-12-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures. Proc.Natl.Acad.Sci.USA, 109, 2012
6XLT	The 1.48 Angstrom crystal structure of evolved galactose oxidase variant A3.E7 Descriptor: ACETATE ION, CALCIUM ION, COPPER (II) ION, ... Authors: Liu, A, Li, J. Deposit date: 2020-06-29 Release date: 2021-02-03 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.478 Å) Cite: Formation of Monofluorinated Radical Cofactor in Galactose Oxidase through Copper-Mediated C-F Bond Scission. J.Am.Chem.Soc., 142, 2020
6ZEZ	Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction Descriptor: 1-[3-[(1~{R},3~{S})-3-[(2~{S})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, Kelch-like ECH-associated protein 1 Authors: Narayanan, D, Bach, A, Gajhede, M. Deposit date: 2020-06-16 Release date: 2021-04-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
6ZF8	Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction Descriptor: 1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... Authors: Narayanan, D, Bach, A, Gajhede, M. Deposit date: 2020-06-16 Release date: 2021-04-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
6ZF6	Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction Descriptor: 1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... Authors: Narayanan, D, Bach, A, Gajhede, M. Deposit date: 2020-06-16 Release date: 2021-04-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.38 Å) Cite: Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
6ZF5	Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction Descriptor: 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... Authors: Narayanan, D, Bach, A, Gajhede, M. Deposit date: 2020-06-16 Release date: 2021-04-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.29 Å) Cite: Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
6ZEW	Keap1 kelch domain bound to a small molecule fragment Descriptor: 7-methoxy-1~{H}-benzotriazole, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... Authors: Narayanan, D, Bach, A, Gajhede, M. Deposit date: 2020-06-16 Release date: 2021-04-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.38 Å) Cite: Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
6ZEY	Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction Descriptor: 5-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 Authors: Narayanan, D, Bach, A, Gajhede, M. Deposit date: 2020-06-16 Release date: 2021-04-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.801 Å) Cite: Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
6ZF4	Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction Descriptor: 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... Authors: Narayanan, D, Bach, A, Gajhede, M. Deposit date: 2020-06-16 Release date: 2021-04-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.21 Å) Cite: Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021

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