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2AF0
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BU of 2af0 by Molmil
Structure of the Regulator of G-Protein Signaling Domain of RGS2
Descriptor: Regulator of G-protein signaling 2
Authors:Papagrigoriou, E, Johannson, C, Phillips, C, Smee, C, Elkins, J.M, Weigelt, J, Arrowsmith, C, Edwards, A, Sundstrom, M, Von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2005-07-25
Release date:2005-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4BGG
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BU of 4bgg by Molmil
Crystal structure of the ACVR1 kinase in complex with LDN-213844
Descriptor: 1,2-ETHANEDIOL, 1-{4-[5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl}piperazine, ACTIVIN RECEPTOR TYPE-1, ...
Authors:Sanvitale, C, Canning, P, Cooper, C, Wang, Y, Mohedas, A.H, Choi, S, Yu, P.B, Cuny, G.D, Nowak, R, Coutandin, D, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2013-03-26
Release date:2013-04-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure-Activity Relationship of 3,5-Diaryl-2-Aminopyridine Alk2 Inhibitors Reveals Unaltered Binding Affinity for Fibrodysplasia Ossificans Progressiva Causing Mutants.
J.Med.Chem., 57, 2014
2L0C
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BU of 2l0c by Molmil
Solution NMR Structure of protein STY4237 (residues 36-120) from Salmonella enterica, Northeast Structural Genomics Consortium Target SlR115
Descriptor: Putative membrane protein
Authors:Cort, J.R, Lee, D, Ciccosanti, C, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Ramelot, T.A, Kennedy, M.A, Northeast Structural Genomics Consortium, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-06-30
Release date:2010-08-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of protein STY4237 (residues 36-120) from Salmonella enterica, Northeast Structural Genomics Consortium Target SlR115
To be Published
2L33
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BU of 2l33 by Molmil
Solution NMR Structure of DRBM 2 domain of Interleukin enhancer-binding factor 3 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4527E
Descriptor: Interleukin enhancer-binding factor 3
Authors:Liu, G, Janjua, H, Xiao, R, Acton, T.B, Ciccosanti, A, Shastry, R.B, Everett, J, Montelione, G.T, Northeast Structural Genomics Consortium, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-09-03
Release date:2010-09-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Northeast Structural Genomics Consortium Target HR4527E
To be Published
3IQ2
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BU of 3iq2 by Molmil
Human sorting nexin 7, phox homology (PX) domain
Descriptor: GLYCEROL, SULFATE ION, Sorting nexin-7
Authors:Karlberg, T, Wisniewska, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-08-19
Release date:2009-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Human Sorting Nexin 7, Phox Homology (Px) Domain
To be Published
4L1M
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BU of 4l1m by Molmil
Structure of the first RCC1-like domain of HERC2
Descriptor: E3 ubiquitin-protein ligase HERC2, SULFATE ION, UNKNOWN ATOM OR ION
Authors:Tempel, W, Khan, M.B, Dong, A, Hu, J, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2013-06-03
Release date:2013-07-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the first RCC1-like domain of HERC2
TO BE PUBLISHED
3EBB
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BU of 3ebb by Molmil
PLAP/P97 complex
Descriptor: MAGNESIUM ION, PHOSPHOLIPASE A2-ACTIVATING PROTEIN, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE (TER ATP
Authors:Walker, J.R, Qiu, L, Akutsu, M, Slessarev, Y, Amaya, M.F, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-08-27
Release date:2009-02-24
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of the PLAA/Ufd3-p97/Cdc48 complex.
J.Biol.Chem., 285, 2010
3ICU
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BU of 3icu by Molmil
Protease-associated domain of the E3 ligase grail
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, E3 ubiquitin-protein ligase RNF128
Authors:Walker, J.R, Yermekbayeva, L, Seitova, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-07-18
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:PA Domain of the E3 Ligase Grail
To be Published
2HFI
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BU of 2hfi by Molmil
Solution NMR Structure of Protein yppE from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR213
Descriptor: Hypothetical protein yppE
Authors:Liu, G, Singarapu, K.K, Parish, D, Eletsky, A, Xu, D, Sukumaran, D, Ho, C.K, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-23
Release date:2006-07-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR structure of hypothetical protein yppE: Northeast Structural Genomics Consortium Target SR213
TO BE PUBLISHED
2HG6
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BU of 2hg6 by Molmil
Solution NMR Structure of Protein PA1123 from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT4; Ontario Centre for Structural Proteomics Target PA1123.
Descriptor: Hypothetical protein
Authors:Lemak, A, Srisailam, S, Yee, A, Lukin, J.A, Orekhov, V.Y, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-06-26
Release date:2006-07-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of a hypothetical protein from Pseudomonas aeruginosa (Northeast Structural Genomics Consortium Target: PaT4; Ontario Centre for Structural Proteomics Target: PA1123)
To be Published
3SMJ
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BU of 3smj by Molmil
Human poly(ADP-ribose) polymerase 14 (Parp14/Artd8) - catalytic domain in complex with a pyrimidine-like inhibitor
Descriptor: 2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, GLYCEROL, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Graslund, S, Kouznetsova, E, Nordlund, P, Nyman, T, Thorsell, A.G, Tresaugues, L, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Nat.Biotechnol., 30, 2012
4MR3
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BU of 4mr3 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-OH)
Descriptor: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-09-17
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MR5
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BU of 4mr5 by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-OH)
Descriptor: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-09-17
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
2K0Z
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BU of 2k0z by Molmil
Solution NMR structure of protein hp1203 from Helicobacter pylori 26695. Northeast Structural Genomics Consortium (NESG) target PT1/Ontario Center for Structural Proteomics target hp1203
Descriptor: Uncharacterized protein hp1203
Authors:Wu, B, Yee, A, Lemak, A, Cort, J, Semest, A, Kenney, M.A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-02-18
Release date:2008-03-04
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structure of protein hp1203 from Helicobacter pylori 26695. Northeast Structural Genomics Consortium (NESG) target PT1/Ontario Center for Structural Proteomics target hp1203.
To be Published
3CEG
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BU of 3ceg by Molmil
Crystal structure of the UBC domain of baculoviral IAP repeat-containing protein 6
Descriptor: Baculoviral IAP repeat-containing protein 6
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-02-29
Release date:2008-04-01
Last modified:2012-11-28
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
2JUW
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BU of 2juw by Molmil
NMR solution structure of homodimer protein SO_2176 from Shewanella oneidensis. Northeast Structural Genomics Consortium target SoR77
Descriptor: UPF0352 protein SO_2176
Authors:Ramelot, T.A, Cort, J.R, Wang, D, Nwosu, C, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-09-03
Release date:2007-09-18
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR solution structure of homodimer protein SO_2176 from Shewanella oneidensis. Northeast Structural Genomics Consortium target SoR77.
To be Published
2K3D
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BU of 2k3d by Molmil
Solution NMR structure of the folded 79 residue fragment of Lin0334 from Listeria innocua. Northeast Structural Genomics Consortium target LkR15
Descriptor: Lin0334 protein
Authors:Ramelot, T.A, Zhao, L, Jiang, M, Foote, E.L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-05-02
Release date:2008-05-13
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR structure of the folded 79 residue fragment of Lin0334 from Listeria innocua. Northeast Structural Genomics Consortium target LkR15.
To be Published
3SE2
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BU of 3se2 by Molmil
Human poly(ADP-ribose) polymerase 14 (PARP14/ARTD8) - catalytic domain in complex with 6(5H)-phenanthridinone
Descriptor: 3-aminobenzamide, CHLORIDE ION, GLYCEROL, ...
Authors:Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Graslund, S, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Thorsell, A.G, Tresaugues, L, Weigelt, J, Siponen, M.I, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-10
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Nat.Biotechnol., 30, 2012
3R93
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BU of 3r93 by Molmil
Crystal structure of the chromo domain of M-phase phosphoprotein 8 bound to H3K9Me3 peptide
Descriptor: H3K9Me3 peptide, M-phase phosphoprotein 8, UNKNOWN ATOM OR ION
Authors:Li, J, Li, Z, Ruan, J, Xu, C, Tong, Y, Pan, P.W, Tempel, W, Crombet, L, Min, J, Zang, J, Structural Genomics Consortium (SGC)
Deposit date:2011-03-24
Release date:2011-04-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.057 Å)
Cite:Structural basis for specific binding of human MPP8 chromodomain to histone H3 methylated at lysine 9.
Plos One, 6, 2011
4MR6
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BU of 4mr6 by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-208)
Descriptor: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-09-17
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
3T44
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BU of 3t44 by Molmil
Crystal structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in complex with indole glycerol phosphate (IGP) amd anthranilate
Descriptor: 2-AMINOBENZOIC ACID, INDOLE-3-GLYCEROL PHOSPHATE, Indole-3-glycerol phosphate synthase
Authors:Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2011-07-25
Release date:2012-08-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights and Inhibition of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS): an Essential Enzyme for Tryptophan Biosynthesis
To be Published
2VD6
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BU of 2vd6 by Molmil
Human adenylosuccinate lyase in complex with its substrate N6-(1,2- Dicarboxyethyl)-AMP, and its products AMP and fumarate.
Descriptor: 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, ...
Authors:Stenmark, P, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-09-30
Release date:2007-10-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human Adenylosuccinate Lyase in Complex with its Substrate N6-(1,2-Dicarboxyethyl)-AMP, and its Products AMP and Fumarate.
To be Published
1W30
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BU of 1w30 by Molmil
PyrR of Mycobacterium Tuberculosis as a potential drug target
Descriptor: PYRR BIFUNCTIONAL PROTEIN
Authors:Kantardjieff, K.A, Vasquez, C, Castro, P, Warfel, N.N, Rho, B.-S, Lekin, T, Kim, C.-Y, Segelke, B.W, Terwilliger, T, Rupp, B, TB Structural Genomics Consortium (TBSGC)
Deposit date:2004-07-11
Release date:2004-09-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Pyrr (Rv1379) from Mycobacterium Tuberculosis: A Persistence Gene and Protein Drug Target
Acta Crystallogr.,Sect.D, 61, 2005
4LC2
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BU of 4lc2 by Molmil
Crystal structure of the bromodomain of human BRPF1B
Descriptor: 1,2-ETHANEDIOL, NITRATE ION, Peregrin
Authors:Tallant, C, Nunez-Alonso, G, Savitsky, P, Picaud, S, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-06-21
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the bromodomain of human BRPF1B
TO BE PUBLISHED
3FEG
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BU of 3feg by Molmil
Crystal structure of human choline kinase beta in complex with phosphorylated hemicholinium-3 and adenosine nucleotide
Descriptor: (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Hong, B.S, Tempel, W, Rabeh, W.M, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC)
Deposit date:2008-11-29
Release date:2008-12-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.302 Å)
Cite:Crystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity.
J.Biol.Chem., 285, 2010

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