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1FV5
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BU of 1fv5 by Molmil
SOLUTION STRUCTURE OF THE FIRST ZINC FINGER FROM THE DROSOPHILA U-SHAPED TRANSCRIPTION FACTOR
Descriptor: FIRST ZINC FINGER OF U-SHAPED, ZINC ION
Authors:Liew, C.K, Kowalski, K, Fox, A.H, Newton, A, Sharpe, B.K, Crossley, M, Mackay, J.P.
Deposit date:2000-09-18
Release date:2000-10-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structures of two CCHC zinc fingers from the FOG family protein U-shaped that mediate protein-protein interactions.
Structure Fold.Des., 8, 2000
1TI7
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BU of 1ti7 by Molmil
CRYSTAL STRUCTURE OF NMRA, A NEGATIVE TRANSCRIPTIONAL REGULATOR, IN COMPLEX WITH NADP AT 1.7A RESOLUTION
Descriptor: CHLORIDE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Lamb, H.K, Leslie, K, Dodds, A.L, Nutley, M, Cooper, A, Johnson, C, Thompson, P, Stammers, D.K, Hawkins, A.R.
Deposit date:2004-06-02
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The negative transcriptional regulator NmrA discriminates between oxidized and reduced dinucleotides.
J.Biol.Chem., 278, 2003
1GNF
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BU of 1gnf by Molmil
SOLUTION STRUCTURE OF THE N-TERMINAL ZINC FINGER OF MURINE GATA-1, NMR, 25 STRUCTURES
Descriptor: TRANSCRIPTION FACTOR GATA-1, ZINC ION
Authors:Kowalski, K, Czolij, R, King, G.F, Crossley, M, Mackay, J.P.
Deposit date:1998-10-12
Release date:1999-06-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The solution structure of the N-terminal zinc finger of GATA-1 reveals a specific binding face for the transcriptional co-factor FOG.
J.Biomol.NMR, 13, 1999
1WO6
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BU of 1wo6 by Molmil
Solution structure of Designed Functional Finger 5 (DFF5): Designed mutant based on non-native CHANCE domain
Descriptor: CREB Binding Protein, ZINC ION
Authors:Sharpe, B.K, Liew, C.K, Wilce, J.A, Crossley, M, Matthews, J.M, Mackay, J.P.
Deposit date:2004-08-12
Release date:2005-03-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Assessment of the robustness of a serendipitous zinc binding fold: mutagenesis and protein grafting
Structure, 13, 2005
1FU9
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BU of 1fu9 by Molmil
SOLUTION STRUCTURE OF THE NINTH ZINC-FINGER DOMAIN OF THE U-SHAPED TRANSCRIPTION FACTOR
Descriptor: U-SHAPED TRANSCRIPTIONAL COFACTOR, ZINC ION
Authors:Liew, C.K, Kowalski, K, Fox, A.H, Newton, A, Sharpe, B.K, Crossley, M, Mackay, J.P.
Deposit date:2000-09-14
Release date:2000-10-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structures of two CCHC zinc fingers from the FOG family protein U-shaped that mediate protein-protein interactions.
Structure Fold.Des., 8, 2000
1WO4
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BU of 1wo4 by Molmil
Solution structure of Minimal Mutant 2 (MM2): Multiple alanine mutant of non-native CHANCE domain
Descriptor: CREB Binding Protein, ZINC ION
Authors:Sharpe, B.K, Liew, C.K, Wilce, J.A, Crossley, M, Matthews, J.M, Mackay, J.P.
Deposit date:2004-08-12
Release date:2005-03-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Assessment of the robustness of a serendipitous zinc binding fold: mutagenesis and protein grafting
Structure, 13, 2005
1NKK
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BU of 1nkk by Molmil
COMPLEX STRUCTURE OF HCMV PROTEASE AND A PEPTIDOMIMETIC INHIBITOR
Descriptor: Capsid protein P40, Peptidomimetic inhibitor
Authors:Khayat, R, Batra, R, Qian, C, Halmos, T, Bailey, M, Tong, L.
Deposit date:2003-01-03
Release date:2003-02-11
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Studies of Inhibitor Binding to Human Cytomegalovirus Protease
Biochemistry, 42, 2003
1WO5
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BU of 1wo5 by Molmil
Solution structure of Designed Functional Finger 2 (DFF2): Designed mutant based on non-native CHANCE domain
Descriptor: CREB Binding Protein, ZINC ION
Authors:Sharpe, B.K, Liew, C.K, Wilce, J.A, Crossley, M, Matthews, J.M, Mackay, J.P.
Deposit date:2004-08-12
Release date:2005-03-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Assessment of the robustness of a serendipitous zinc binding fold: mutagenesis and protein grafting
Structure, 13, 2005
1WO7
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BU of 1wo7 by Molmil
Solution structure of Designed Functional Finger 7 (DFF7): Designed mutant based on non-native CHANCE domain
Descriptor: CREB Binding Protein, ZINC ION
Authors:Sharpe, B.K, Liew, C.K, Wilce, J.A, Crossley, M, Matthews, J.M, Mackay, J.P.
Deposit date:2004-08-12
Release date:2005-03-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Assessment of the robustness of a serendipitous zinc binding fold: mutagenesis and protein grafting
Structure, 13, 2005
2HU2
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BU of 2hu2 by Molmil
CTBP/BARS in ternary complex with NAD(H) and RRTGAPPAL peptide
Descriptor: 9-mer peptide from Zinc finger protein 217, C-terminal-binding protein 1, FORMIC ACID, ...
Authors:Nardini, M, Bolognesi, M, Quinlan, K.G.R, Verger, A, Francescato, P, Crossley, M.
Deposit date:2006-07-26
Release date:2006-10-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Specific Recognition of ZNF217 and Other Zinc Finger Proteins at a Surface Groove of C-Terminal Binding Proteins
Mol.Cell.Biol., 26, 2006
2LCH
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BU of 2lch by Molmil
Solution NMR Structure of a Protein With a Redesigned Hydrophobic Core, Northeast Structural Genomics Consortium Target OR38
Descriptor: Protein OR38
Authors:Mills, J.L, Murphy, G, Miley, M, Machius, M, Kuhlman, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-04-29
Release date:2011-05-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of a Protein With a Redesigned Hydrophobic Core, Northeast Structural Genomics Consortium Target OR38
To be Published
3GHG
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BU of 3ghg by Molmil
Crystal Structure of Human Fibrinogen
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, A knob, B knob, ...
Authors:Doolittle, R.F, Kollman, J.M, Sawaya, M.R, Pandi, L, Riley, M.
Deposit date:2009-03-03
Release date:2009-05-19
Last modified:2023-05-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of human fibrinogen.
Biochemistry, 48, 2009
2L6Y
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BU of 2l6y by Molmil
haddock model of GATA1NF:Lmo2LIM2-Ldb1LID
Descriptor: Erythroid transcription factor, LIM domain only 2, linker, ...
Authors:Wilkinson-White, L, Gamsjaeger, R, Dastmalchi, S, Wienert, B, Stokes, P.H, Crossley, M, Mackay, J.P, Matthews, J.M.
Deposit date:2010-12-01
Release date:2011-08-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis of simultaneous recruitment of the transcriptional regulators LMO2 and FOG1/ZFPM1 by the transcription factor GATA1
Proc.Natl.Acad.Sci.USA, 108, 2011
2JM3
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BU of 2jm3 by Molmil
Solution structure of the THAP domain from C. elegans C-terminal binding protein (CtBP)
Descriptor: Hypothetical protein, ZINC ION
Authors:Liew, C.K, Crossley, M, Mackay, J.P, Nicholas, H.R.
Deposit date:2006-09-21
Release date:2007-02-06
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the THAP domain from Caenorhabditis elegans C-terminal binding protein (CtBP).
J.Mol.Biol., 366, 2007
2L6Z
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BU of 2l6z by Molmil
haddock model of GATA1NF:Lmo2LIM2-Ldb1LID with FOG
Descriptor: Erythroid transcription factor, LIM domain only 2, linker, ...
Authors:Wilkinson-White, L, Gamsjaeger, R, Dastmalchi, S, Wienert, B, Stokes, P.H, Crossley, M, Mackay, J.P, Matthews, J.M.
Deposit date:2010-12-01
Release date:2011-08-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis of simultaneous recruitment of the transcriptional regulators LMO2 and FOG1/ZFPM1 by the transcription factor GATA1
Proc.Natl.Acad.Sci.USA, 108, 2011
1BMN
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BU of 1bmn by Molmil
HUMAN ALPHA-THROMBIN COMPLEXED WITH [S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXAMIDE (BMS-189090)
Descriptor: ALPHA-THROMBIN, HIRUDIN I, [S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-3-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXAMIDE
Authors:Malley, M, Sack, J.
Deposit date:1995-11-14
Release date:1996-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic determination of the structures of human alpha-thrombin complexed with BMS-186282 and BMS-189090.
Protein Sci., 5, 1996
1BMM
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BU of 1bmm by Molmil
HUMAN ALPHA-THROMBIN COMPLEXED WITH [S-(R*,R*)]-4-[(AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY-2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE (BMS-186282)
Descriptor: ALPHA-THROMBIN, HIRUDIN I, S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY -2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE
Authors:Malley, M, Sack, J.
Deposit date:1995-11-14
Release date:1996-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic determination of the structures of human alpha-thrombin complexed with BMS-186282 and BMS-189090.
Protein Sci., 5, 1996
3TU7
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BU of 3tu7 by Molmil
Human alpha-thrombin complexed with N-(methylsulfonyl)-D-phenylalanyl-N-((1-carbamimidoyl-4-piperidinyl)methyl)-l-prolinamide (BMS-189664)
Descriptor: Hirudin variant-2, N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide, Prothrombin
Authors:Malley, M, Sack, J.S.
Deposit date:2011-09-16
Release date:2011-10-12
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular design and structure-activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664.
Bioorg.Med.Chem.Lett., 12, 2002
6H7E
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BU of 6h7e by Molmil
GEF regulatory domain
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SULFATE ION, cDNA FLJ56134, ...
Authors:Ferrandez, Y, Cherfils, J, Peurois, F.
Deposit date:2018-07-31
Release date:2020-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Membranes prime the RapGEF EPAC1 to transduce cAMP signaling.
Nat Commun, 14, 2023
7ZX0
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BU of 7zx0 by Molmil
Crystal structure of Pol theta polymerase domain in complex with compound 5
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[5-bromanyl-3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy-~{N}-ethyl-~{N}-(3-methylphenyl)ethanamide, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ...
Authors:Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A.
Deposit date:2022-05-19
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
7ZUS
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BU of 7zus by Molmil
Crystal structure of ternary complex of Pol theta polymerase domain
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), DNA (5'-D(P*TP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), ...
Authors:Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A.
Deposit date:2022-05-13
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
7ZX1
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BU of 7zx1 by Molmil
Crystal structure of Pol theta polymerase domain in complex with compound 22
Descriptor: (2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ...
Authors:Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A.
Deposit date:2022-05-19
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.829 Å)
Cite:Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
4TZC
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BU of 4tzc by Molmil
Crystal Structure of Murine Cereblon in Complex with Thalidomide
Descriptor: Protein cereblon, S-Thalidomide, SULFATE ION, ...
Authors:Chamberlain, P.P, Pagarigan, B, Delker, S, Leon, B.
Deposit date:2014-07-10
Release date:2014-08-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Basis for Responsiveness to Thalidomide-Analog Drugs Defined by the Crystal Structure of the Human Cereblon:DDB1:Lenalidomide Complex
to be published
7TEH
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BU of 7teh by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2
Descriptor: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2022-01-05
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
7TDU
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BU of 7tdu by Molmil
Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1
Descriptor: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2022-01-03
Release date:2022-03-02
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
Cite:Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022

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