4KJL
| Room Temperature N23PPS148A DHFR | Descriptor: | Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | van den Bedem, H, Bhabha, G, Yang, K, Wright, P.E, Fraser, J.S. | Deposit date: | 2013-05-03 | Release date: | 2013-08-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Automated identification of functional dynamic contact networks from X-ray crystallography. Nat.Methods, 10, 2013
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4M6J
| Crystal structure of human dihydrofolate reductase (DHFR) bound to NADPH | Descriptor: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A. | Deposit date: | 2013-08-09 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.201 Å) | Cite: | Divergent evolution of protein conformational dynamics in dihydrofolate reductase. Nat.Struct.Mol.Biol., 20, 2013
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4M6K
| Crystal structure of human dihydrofolate reductase (DHFR) bound to NADP+ and folate | Descriptor: | Dihydrofolate reductase, FOLIC ACID, GLYCEROL, ... | Authors: | Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A. | Deposit date: | 2013-08-09 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.396 Å) | Cite: | Divergent evolution of protein conformational dynamics in dihydrofolate reductase. Nat.Struct.Mol.Biol., 20, 2013
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2N2A
| Spatial structure of HER2/ErbB2 dimeric transmembrane domain in the presence of cytoplasmic juxtamembrane domains | Descriptor: | Receptor tyrosine-protein kinase erbB-2 | Authors: | Bragin, P.E, Mineev, K.S, Bocharov, E, Bocharova, O, Arseniev, A. | Deposit date: | 2015-05-05 | Release date: | 2016-02-24 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | HER2 Transmembrane Domain Dimerization Coupled with Self-Association of Membrane-Embedded Cytoplasmic Juxtamembrane Regions. J.Mol.Biol., 428, 2016
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1QPY
| CRYSTAL STRUCTURE OF BACKBONE MODIFIED PNA HEXAMER | Descriptor: | PEPTIDE NUCLEIC ACID 5'-(*CP1*GPN*TP1*APN*CP1*GPN*LYS)-3' | Authors: | Haima, G, Rasmussen, H, Schmidt, G, Jensen, D.K, Kastrup, J.S, Stafshede, P.W, Norden, B, Buchardt, O, Nielsen, P.E. | Deposit date: | 1999-05-14 | Release date: | 2001-02-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Peptide Nucleic Acids (PNA) derived from N-(N-methylaminoethyl)glycine. Synthesis, hybridization and structural properties New J.Chem., 23, 1999
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7AV9
| Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 | Descriptor: | 1,2-ETHANEDIOL, PH-interacting protein | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | Deposit date: | 2020-11-04 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 To Be Published
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7B3J
| Dynamic complex between all-D-enantiomeric peptide D3 with wild-type amyloid precursor protein 672-726 fragment (amyloid beta 1-55) | Descriptor: | D3 all D-enantimeric peptide, Isoform L-APP677 of Amyloid-beta precursor protein | Authors: | Bocharov, E.V, Volynsky, P.E, Okhrimenko, I.S, Urban, A.S. | Deposit date: | 2020-12-01 | Release date: | 2021-01-13 | Last modified: | 2021-12-08 | Method: | SOLUTION NMR | Cite: | All - d - Enantiomeric Peptide D3 Designed for Alzheimer's Disease Treatment Dynamically Interacts with Membrane-Bound Amyloid-beta Precursors. J.Med.Chem., 64, 2021
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7AV8
| Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212 | Descriptor: | PH-interacting protein | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-04 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212 To Be Published
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7B3K
| Dynamic complex between all-D-enantiomeric peptide D3 with L723P mutant of amyloid precursor protein (APP) 672-726 fragment (amyloid beta 1-55) | Descriptor: | D3 all D-enantimeric peptide, Isoform L-APP677 of Amyloid-beta precursor protein | Authors: | Bocharov, E.V, Volynsky, P.E, Okhrimenko, I.S, Urban, A.S. | Deposit date: | 2020-12-01 | Release date: | 2021-01-13 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | All - d - Enantiomeric Peptide D3 Designed for Alzheimer's Disease Treatment Dynamically Interacts with Membrane-Bound Amyloid-beta Precursors. J.Med.Chem., 64, 2021
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7BBO
| Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P212121 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PH-interacting protein | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-18 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212 To Be Published
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7BBP
| Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with H4K5acK8ac | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Histone H4, ... | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-18 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with H4K5acK8ac To Be Published
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1ULP
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1TF3
| TFIIIA FINGER 1-3 BOUND TO DNA, NMR, 22 STRUCTURES | Descriptor: | 5S RNA GENE, TRANSCRIPTION FACTOR IIIA, ZINC ION | Authors: | Foster, M.P, Wuttke, D.S, Radhakrishnan, I, Case, D.A, Gottesfeld, J.M, Wright, P.E. | Deposit date: | 1997-07-01 | Release date: | 1997-09-17 | Last modified: | 2021-11-03 | Method: | SOLUTION NMR | Cite: | Domain packing and dynamics in the DNA complex of the N-terminal zinc fingers of TFIIIA. Nat.Struct.Biol., 4, 1997
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6O0O
| crystal structure of BCL-2 G101V mutation with S55746 | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-02-17 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Nat Commun, 10, 2019
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6O0M
| crystal structure of BCL-2 F104L mutation with venetoclax | Descriptor: | 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, DI(HYDROXYETHYL)ETHER | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-02-16 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Nat Commun, 10, 2019
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1MAA
| MOUSE ACETYLCHOLINESTERASE CATALYTIC DOMAIN, GLYCOSYLATED PROTEIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Bourne, Y, Taylor, P, Bougis, P.E, Marchot, P. | Deposit date: | 1998-11-04 | Release date: | 1999-04-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of mouse acetylcholinesterase. A peripheral site-occluding loop in a tetrameric assembly. J.Biol.Chem., 274, 1999
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6O0K
| crystal structure of BCL-2 with venetoclax | Descriptor: | 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2, NONAETHYLENE GLYCOL | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-02-16 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Nat Commun, 10, 2019
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6O5Z
| Crystal Structure of the human MLKL pseudokinase domain bound to compound 2 | Descriptor: | 1,2-ETHANEDIOL, 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea, Mixed lineage kinase domain-like protein | Authors: | Cowan, A.D, Murphy, J.M, Pierotti, C.L, Lessene, G.L, Czabotar, P.E. | Deposit date: | 2019-03-04 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.285 Å) | Cite: | Potent Inhibition of Necroptosis by Simultaneously Targeting Multiple Effectors of the Pathway. Acs Chem.Biol., 15, 2020
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1MU8
| thrombin-hirugen_l-378,650 | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | Deposit date: | 2002-09-23 | Release date: | 2004-04-06 | Last modified: | 2021-07-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines. J.Med.Chem., 46, 2003
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1MU6
| Crystal Structure of Thrombin in Complex with L-378,622 | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | Deposit date: | 2002-09-23 | Release date: | 2004-04-06 | Last modified: | 2021-07-21 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines. J.Med.Chem., 46, 2003
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1NU7
| Staphylocoagulase-Thrombin Complex | Descriptor: | IMIDAZOLE, MERCURY (II) ION, N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | Authors: | Friedrich, R, Bode, W, Fuentes-Prior, P, Panizzi, P, Bock, P.E. | Deposit date: | 2003-01-31 | Release date: | 2003-10-07 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Staphylocoagulase is a prototype for the mechanism of cofactor-induced zymogen activation NATURE, 425, 2003
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1NO8
| SOLUTION STRUCTURE OF THE NUCLEAR FACTOR ALY RBD DOMAIN | Descriptor: | ALY | Authors: | Perez-Alvarado, G.C, Martinez-Yamout, M, Allen, M.M, Grosschedl, R, Dyson, H.J, Wright, P.E. | Deposit date: | 2003-01-15 | Release date: | 2003-08-12 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structure of the Nuclear Factor ALY: Insights into Post-Transcriptional
Regulatory and mRNA Nuclear Export Processes Biochemistry, 42, 2003
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1NU9
| Staphylocoagulase-Prethrombin-2 complex | Descriptor: | IMIDAZOLE, MERCURY (II) ION, N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | Authors: | Friedrich, R, Bode, W, Fuentes-Prior, P, Panizzi, P, Bock, P.E. | Deposit date: | 2003-01-31 | Release date: | 2003-10-07 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Staphylocoagulase is a prototype for the mechanism of cofactor-induced zymogen activation NATURE, 425, 2003
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1PRT
| THE CRYSTAL STRUCTURE OF PERTUSSIS TOXIN | Descriptor: | PERTUSSIS TOXIN (SUBUNIT S1), PERTUSSIS TOXIN (SUBUNIT S2), PERTUSSIS TOXIN (SUBUNIT S3), ... | Authors: | Stein, P.E, Read, R.J. | Deposit date: | 1993-11-22 | Release date: | 1995-01-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The crystal structure of pertussis toxin. Structure, 2, 1994
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1POU
| THE SOLUTION STRUCTURE OF THE OCT-1 POU-SPECIFIC DOMAIN REVEALS A STRIKING SIMILARITY TO THE BACTERIOPHAGE LAMBDA REPRESSOR DNA-BINDING DOMAIN | Descriptor: | OCT-1 | Authors: | Assa-Munt, N, Mortishire-Smith, R.J, Aurora, R, Herr, W, Wright, P.E. | Deposit date: | 1993-06-14 | Release date: | 1994-10-15 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | The solution structure of the Oct-1 POU-specific domain reveals a striking similarity to the bacteriophage lambda repressor DNA-binding domain. Cell(Cambridge,Mass.), 73, 1993
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