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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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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6N64
 | | Crystal structure of mouse SMCHD1 hinge domain | | Descriptor: | Structural maintenance of chromosomes flexible hinge domain-containing protein 1, Uncharacterized peptide from Structural maintenance of chromosomes flexible hinge domain-containing protein 1 | | Authors: | Birkinshaw, R.W, Chen, K, Czabotar, P.E, Blewitt, M.E, Murphy, J.M. | | Deposit date: | 2018-11-25 | | Release date: | 2020-06-17 | | Last modified: | 2021-01-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of the hinge domain of Smchd1 reveals its dimerization mode and nucleic acid-binding residues.
Sci.Signal., 13, 2020
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8C7D
 | | Structure of the GEF Kalirin DH2 Domain | | Descriptor: | Kalirin | | Authors: | Callens, M.C, Thompson, A.P, Gray, J.L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-01-14 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure-based alignment and analysis of RHO selectivity of RHO-DBL GTPase exchange factors
to be published
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3FDL
 | | Bim BH3 peptide in complex with Bcl-xL | | Descriptor: | Apoptosis regulator Bcl-X, Bcl-2-like protein 11 | | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M. | | Deposit date: | 2008-11-26 | | Release date: | 2009-03-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | High-Resolution Structural Characterization of a Helical alpha/beta-Peptide Foldamer Bound to the Anti-Apoptotic Protein Bcl-x(L)
Angew.Chem.Int.Ed.Engl., 48, 2009
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3DKS
 | | DsbA substrate complex | | Descriptor: | Thiol:disulfide interchange protein dsbA, siga peptide | | Authors: | Paxman, J.J, Borg, N.A, Horne, J, Rossjohn, J, Thompson, P.E, Piek, S, Kahler, C.M, Sakellaris, H, Scanlon, M.J. | | Deposit date: | 2008-06-25 | | Release date: | 2009-05-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure of the bacterial oxidoreductase enzyme DsbA in complex with a peptide reveals a basis for substrate specificity in the catalytic cycle of DsbA enzymes
J.Biol.Chem., 284, 2009
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3FDM
 | | alpha/beta foldamer in complex with Bcl-xL | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator Bcl-X, alpha/beta-peptide foldamer | | Authors: | Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M, Sadowsky, J.D, Peterson-Kaufman, K.J, Gellman, S.H. | | Deposit date: | 2008-11-26 | | Release date: | 2009-03-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | High-Resolution Structural Characterization of a Helical alpha/beta-Peptide Foldamer Bound to the Anti-Apoptotic Protein Bcl-x(L)
Angew.Chem.Int.Ed.Engl., 48, 2009
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1CX1
 | | SECOND N-TERMINAL CELLULOSE-BINDING DOMAIN FROM CELLULOMONAS FIMI BETA-1,4-GLUCANASE C, NMR, 22 STRUCTURES | | Descriptor: | ENDOGLUCANASE C | | Authors: | Brun, E, Johnson, P.E, Creagh, L.A, Haynes, C.A, Tomme, P, Webster, P, Kilburn, D.G, McIntosh, L.P. | | Deposit date: | 1999-08-27 | | Release date: | 2000-04-02 | | Last modified: | 2017-02-01 | | Method: | SOLUTION NMR | | Cite: | Structure and binding specificity of the second N-terminal cellulose-binding domain from Cellulomonas fimi endoglucanase C.
Biochemistry, 39, 2000
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3D7V
 | | Crystal structure of Mcl-1 in complex with an Mcl-1 selective BH3 ligand | | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | | Authors: | Lee, E.F, Czabotar, P.E, Colman, P.M, Fairlie, W.D. | | Deposit date: | 2008-05-22 | | Release date: | 2008-06-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | A novel BH3 ligand that selectively targets Mcl-1 reveals that apoptosis can proceed without Mcl-1 degradation.
J.Cell Biol., 180, 2008
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3GAH
 | | Structure of a F112H variant PduO-type ATP:corrinoid adenosyltransferase from Lactobacillus reuteri complexed with cobalamin and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ... | | Authors: | St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | | Deposit date: | 2009-02-17 | | Release date: | 2009-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Residue Phe112 of the human-type corrinoid adenosyltransferase (PduO) enzyme of Lactobacillus reuteri is critical to the formation of the four-coordinate Co(II) corrinoid substrate and to the activity of the enzyme.
Biochemistry, 48, 2009
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3GAJ
 | | Structure of a C-terminal deletion variant of a PduO-type ATP:corrinoid adenosyltransferase from Lactobacillus reuteri complexed with cobalamin and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ... | | Authors: | St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | | Deposit date: | 2009-02-17 | | Release date: | 2009-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Residue Phe112 of the human-type corrinoid adenosyltransferase (PduO) enzyme of Lactobacillus reuteri is critical to the formation of the four-coordinate Co(II) corrinoid substrate and to the activity of the enzyme.
Biochemistry, 48, 2009
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3GAI
 | | Structure of a F112A variant PduO-type ATP:corrinoid adenosyltransferase from Lactobacillus reuteri complexed with cobalamin and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, COBALAMIN, ... | | Authors: | St Maurice, M, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | | Deposit date: | 2009-02-17 | | Release date: | 2009-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Residue Phe112 of the human-type corrinoid adenosyltransferase (PduO) enzyme of Lactobacillus reuteri is critical to the formation of the four-coordinate Co(II) corrinoid substrate and to the activity of the enzyme.
Biochemistry, 48, 2009
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1OVA
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1PDT
 | | PD235, PNA-DNA DUPLEX, NMR, 8 STRUCTURES | | Descriptor: | DNA (5'-D(*GP*AP*CP*AP*TP*AP*GP*C)-3', PEPTIDE NUCLEIC ACID (COOH-P(*G*C*T*A*T*G*T*C)-NH2) | | Authors: | Eriksson, M, Nielsen, P.E. | | Deposit date: | 1996-03-28 | | Release date: | 1996-10-14 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a peptide nucleic acid-DNA duplex.
Nat.Struct.Biol., 3, 1996
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1MYF
 | | SOLUTION STRUCTURE OF CARBONMONOXY MYOGLOBIN DETERMINED FROM NMR DISTANCE AND CHEMICAL SHIFT CONSTRAINTS | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Osapay, K, Theriault, Y, Wright, P.E, Case, D.A. | | Deposit date: | 1994-12-02 | | Release date: | 1995-02-27 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of carbonmonoxy myoglobin determined from nuclear magnetic resonance distance and chemical shift constraints.
J.Mol.Biol., 244, 1994
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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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3QL3
 | | Re-refined coordinates for PDB entry 1RX2 | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A. | | Deposit date: | 2011-02-02 | | Release date: | 2011-04-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis.
Science, 332, 2011
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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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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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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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3S2Y
 | | Crystal structure of a chromate/uranium reductase from Gluconacetobacter hansenii | | Descriptor: | CHLORIDE ION, Chromate reductase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Jin, H, Zhang, Y, Buchko, G.W, Li, P, Squier, T.C, Robinson, H, Varnum, S.M, Long, P.E. | | Deposit date: | 2011-05-17 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.244 Å) | | Cite: | Structure Determination and Functional Analysis of a Chromate Reductase from Gluconacetobacter hansenii.
Plos One, 7, 2012
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6G5N
 | | Crystal structure of human SP100 in complex with bromodomain-focused fragment XS039818e 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine | | Descriptor: | (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | | Deposit date: | 2018-03-29 | | Release date: | 2018-04-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.765 Å) | | Cite: | Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
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6GMC
 | | 1.2 A resolution structure of human hydroxyacid oxidase 1 bound with FMN and 4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole | | Descriptor: | 1,2-ETHANEDIOL, 5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate, FLAVIN MONONUCLEOTIDE, ... | | Authors: | MacKinnon, S, Bezerra, G.A, Krojer, T, Smee, C, Arrowsmith, C.H, Edwards, E, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | | Deposit date: | 2018-05-24 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate
To Be Published
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3PL7
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