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7MON
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BU of 7mon by Molmil
Structure of human RIPK3-MLKL complex
Descriptor: Mixed lineage kinase domain-like protein, N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3
Authors:Meng, Y, Davies, K.A, Czabotar, P.E, Murphy, J.M.
Deposit date:2021-05-03
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis.
Nat Commun, 12, 2021
7MX3
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BU of 7mx3 by Molmil
Crystal structure of human RIPK3 complexed with GSK'843
Descriptor: 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine, Receptor-interacting serine/threonine-protein kinase 3
Authors:Davies, K.A, Czabotar, P.E.
Deposit date:2021-05-18
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Human RIPK3 maintains MLKL in an inactive conformation prior to cell death by necroptosis.
Nat Commun, 12, 2021
5LFI
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BU of 5lfi by Molmil
lactococcin A immunity protein
Descriptor: Lactococcin-A immunity protein
Authors:Persson, C, Fuochi, V, Pedersen, A, Karlsson, B.G, Nissen-Meyer, J, Kristiansen, P.E, Oppegard, C.
Deposit date:2016-07-01
Release date:2016-11-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Structure and Mutational Analysis of the Lactococcin A Immunity Protein.
Biochemistry, 55, 2016
1TOT
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BU of 1tot by Molmil
ZZ Domain of CBP- a Novel Fold for a Protein Interaction Module
Descriptor: CREB-binding protein, ZINC ION
Authors:Legge, G.B, Martinez-Yamout, M.A, Hambly, D.M, Trinh, T, Dyson, H.J, Wright, P.E.
Deposit date:2004-06-15
Release date:2005-01-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:ZZ domain of CBP: an unusual zinc finger fold in a protein interaction module
J.Mol.Biol., 343, 2004
1UUB
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BU of 1uub by Molmil
Solution structure of a truncated bovine pancreatic trypsin inhibitor mutant, 3-58 BPTI (K15R, R17A, R42S)
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Zhang, W, Nielsen, C.B, Hansen, P.E.
Deposit date:2003-12-17
Release date:2004-01-29
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR Solution Structures of Modified and Truncated Bovine Pancreatic Trypsin Inhibitor Proteins (3-58 Bpti'S)
To be Published
1UUA
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BU of 1uua by Molmil
Solution structure of a truncated bovine pancreatic trypsin inhibitor, 3-58 BPTI.
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Zhang, W, Nielsen, C.B, Hansen, P.E.
Deposit date:2003-12-17
Release date:2004-01-29
Last modified:2018-01-17
Method:SOLUTION NMR
Cite:NMR Solution Structures of Modifies and Truncated Bovine Pancreatic Trypsin Inhibitor Proteins (3-58 Bpti'S)
To be Published
1RRU
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BU of 1rru by Molmil
The influence of a chiral amino acid on the helical handedness of PNA in solution and in crystals
Descriptor: Peptide Nucleic Acid, (H-P(*CPN*GPN*TPN*APN*CPN*GPN)-LYS-NH2)
Authors:Rasmussen, H, Liljefors, T, Petersson, B, Nielsen, P.E, Kastrup, J.S.
Deposit date:2003-12-09
Release date:2004-01-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Influence of a Chiral Amino Acid on the Helical Handedness of PNA in Solution and in Crystals
J.Biomol.Struct.Dyn., 21, 2004
1Y7J
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BU of 1y7j by Molmil
NMR structure family of Human Agouti Signalling Protein (80-132: Q115Y, S124Y)
Descriptor: Agouti Signaling Protein
Authors:McNulty, J.C, Jackson, P.J, Thompson, D.A, Chai, B, Gantz, I, Barsh, G.S, Dawson, P.E, Millhauser, G.L.
Deposit date:2004-12-08
Release date:2005-02-15
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Structures of the agouti signaling protein.
J.Mol.Biol., 346, 2005
1Y7K
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BU of 1y7k by Molmil
NMR structure family of Human Agouti Signalling Protein (80-132: Q115Y, S124Y)
Descriptor: Agouti Signaling Protein
Authors:McNulty, J.C, Jackson, P.J, Thompson, D.A, Chai, B, Gantz, I, Barsh, G.S, Dawson, P.E, Millhauser, G.L.
Deposit date:2004-12-08
Release date:2005-02-15
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Structures of the agouti signaling protein.
J.Mol.Biol., 346, 2005
1YTR
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BU of 1ytr by Molmil
NMR structure of plantaricin a in dpc micelles, 20 structures
Descriptor: Bacteriocin plantaricin A
Authors:Kristiansen, P.E, Fimland, G, Mantzilas, D, Nissen-Meyer, J.
Deposit date:2005-02-11
Release date:2005-05-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure and mode of action of the membrane-permeabilizing antimicrobial peptide pheromone plantaricin A
J.Biol.Chem., 280, 2005
1ZU1
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BU of 1zu1 by Molmil
Solution Structure of the N-terminal Zinc Fingers of the Xenopus laevis double stranded RNA binding protein ZFa
Descriptor: RNA binding protein ZFa, ZINC ION
Authors:Moller, H.M, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2005-05-29
Release date:2005-09-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the N-terminal zinc fingers of the Xenopus laevis double-stranded RNA-binding protein ZFa
J.Mol.Biol., 351, 2005
5VX1
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BU of 5vx1 by Molmil
Bak L100A
Descriptor: Bcl-2 homologous antagonist/killer
Authors:Brouwer, J.M, Colman, P.M, Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.224 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VX0
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BU of 5vx0 by Molmil
Bak in complex with Bim-h3Glg
Descriptor: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ...
Authors:Brouwer, J.M, Lan, P, Lessene, G, Colman, P.M, Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5W3Q
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BU of 5w3q by Molmil
L28F E.coli DHFR in complex with NADPH
Descriptor: CALCIUM ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oyen, D, Wright, P.E, Wilson, I.A.
Deposit date:2017-06-08
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Defining the Structural Basis for Allosteric Product Release from E. coli Dihydrofolate Reductase Using NMR Relaxation Dispersion.
J. Am. Chem. Soc., 139, 2017
5VMY
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BU of 5vmy by Molmil
Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a hemi CpG-methylated DNA resembling the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*CP*GP*CP*GP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*(5CM)P*GP*(5CM)P*GP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2017-04-28
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:CH···O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG Sites by the Zinc Finger Protein Kaiso.
Biochemistry, 57, 2018
5VWW
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BU of 5vww by Molmil
Bak core latch dimer in complex with Bim-RT - Tetragonal
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BROMIDE ION, Bcl-2 homologous antagonist/killer, ...
Authors:Brouwer, J.M, Colman, P.M, Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VMW
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BU of 5vmw by Molmil
Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a double CpG-methylated DNA resembling the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*(5CM)P*GP*(5CM)P*GP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*(5CM)P*GP*(5CM)P*GP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2017-04-28
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:CH···O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG Sites by the Zinc Finger Protein Kaiso.
Biochemistry, 57, 2018
5W62
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BU of 5w62 by Molmil
Crystal structure of mouse BAX monomer
Descriptor: Apoptosis regulator BAX, SULFATE ION
Authors:Robin, A.Y, Colman, P.M, Czabotar, P.E, Luo, C.S.
Deposit date:2017-06-16
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.196 Å)
Cite:Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5VWZ
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BU of 5vwz by Molmil
Bak in complex with Bim-h3Pc
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, AMMONIUM ION, Bcl-2 homologous antagonist/killer, ...
Authors:Brouwer, J.M, Colman, P.M, Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.622 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VWY
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BU of 5vwy by Molmil
Bak core latch dimer in complex with Bim-h3Pc-RT
Descriptor: Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, PHOSPHATE ION
Authors:Brouwer, J.M, Colman, P.M, Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.555 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VX3
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BU of 5vx3 by Molmil
Bcl-xL in complex with Bim-h3Pc-RT
Descriptor: 1,2-ETHANEDIOL, Bcl-2-like protein 1, Bcl-2-like protein 11
Authors:Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5W5X
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BU of 5w5x by Molmil
Crystal structure of BAXP168G in complex with an activating antibody
Descriptor: 1,2-ETHANEDIOL, 3C10 Fab' heavy chain, 3C10 Fab' light chain, ...
Authors:Robin, A.Y, Colman, P.M, Czabotar, P.E.
Deposit date:2017-06-16
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
5VWX
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BU of 5vwx by Molmil
Bak core latch dimer in complex with Bim-h0-h3Glt
Descriptor: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11
Authors:Brouwer, J.M, Lan, P, Lessene, G, Colman, P.M, Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.489 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5W5Z
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BU of 5w5z by Molmil
Crystal structure of BAXP168G in complex with an activating antibody at high resolution
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C10 Fab heavy chain, ...
Authors:Robin, A.Y, Colman, P.M, Czabotar, P.E.
Deposit date:2017-06-16
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
6J3O
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BU of 6j3o by Molmil
Crystal structure of the human PCAF bromodomain in complex with compound 12
Descriptor: 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B
Authors:Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y.
Deposit date:2019-01-05
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019

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