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5EW5
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BU of 5ew5 by Molmil
Crystal Structure of Colicin E9 In Complex with Its Immunity Protein Im9
Descriptor: Colicin-E9, Colicin-E9 immunity protein
Authors:Klein, A, Wojdyla, J.A, Kleanthous, C.
Deposit date:2015-11-20
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and biophysical analysis of nuclease protein antibiotics.
Biochem.J., 473, 2016
7Z68
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BU of 7z68 by Molmil
Pseudomonas aeruginosa Elastase in complex with a Thiol based inhibitor (R-and S-configured)
Descriptor: (2~{R})-~{N}-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylphenyl]-3-phenyl-2-sulfanyl-propanamide, CALCIUM ION, GLYCEROL, ...
Authors:Klein, A, Hirsch, A.
Deposit date:2022-03-11
Release date:2023-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Dual inhibitors of Pseudomonas aeruginosa virulence factors LecA and LasB
To Be Published
4JML
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BU of 4jml by Molmil
Crystal structure of the TolB(P201C)-ColicinE9 TBE peptide(A33C) complex.
Descriptor: CALCIUM ION, Colicin-E9, Protein TolB
Authors:Wojdyla, J.A, Klein, A, Kleanthous, C.
Deposit date:2013-03-14
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intrinsically disordered protein threads through the bacterial outer-membrane porin OmpF.
Science, 340, 2013
4ID7
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BU of 4id7 by Molmil
ACK1 kinase in complex with the inhibitor cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
Descriptor: Activated CDC42 kinase 1, SULFATE ION, cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
Authors:Jin, M, Wang, J, Kleinberg, A, Kadalbajoo, M, Siu, K, Cooke, A, Bittner, M, Yao, Y, Thelemann, A, Ji, Q, Bhagwat, S, Crew, A.P, Pachter, J, Epstein, D, Mulvihill, M.J.
Deposit date:2012-12-11
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of potent, selective and orally bioavailable imidazo[1,5-a]pyrazine derived ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4KNB
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BU of 4knb by Molmil
C-Met in complex with OSI ligand
Descriptor: 7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor
Authors:Wang, J, Steinig, A.G, Li, A.H, Chen, X, Dong, H, Ferraro, C, Jin, M, Kadalbajoo, M, Kleinberg, A, Stolz, K.M, Tavares-Greco, P.A, Wang, T, Albertella, M.R, Peng, Y, Crew, L, Kahler, J.
Deposit date:2013-05-09
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases.
Bioorg.Med.Chem.Lett., 23, 2013
7R7P
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BU of 7r7p by Molmil
Immature HIV-1 CACTD-SP1 lattice with Bevirimat (BVM) and Inositol hexakisphosphate (IP6)
Descriptor: 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T.
Deposit date:2021-06-25
Release date:2023-02-15
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structural basis of HIV-1 maturation inhibitor binding and activity.
Nat Commun, 14, 2023
7R7Q
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BU of 7r7q by Molmil
Immature HIV-1 CACTD-SP1 lattice with Inositol hexakisphosphate (IP6)
Descriptor: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
Authors:Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T.
Deposit date:2021-06-25
Release date:2023-02-15
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structural basis of HIV-1 maturation inhibitor binding and activity.
Nat Commun, 14, 2023
6I86
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BU of 6i86 by Molmil
Crocagin biosynthetic gene J
Descriptor: GLYCEROL, Uncharacterized protein
Authors:Adam, S, Koehnke, J.
Deposit date:2018-11-19
Release date:2019-03-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of CgnJ, a domain of unknown function protein from the crocagin gene cluster.
Acta Crystallogr.,Sect.F, 75, 2019
8CHH
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BU of 8chh by Molmil
SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the correction method for spin-diffusion with PDB 2NUZ as reference
Descriptor: Spectrin alpha chain, non-erythrocytic 1
Authors:Soeldner, B.
Deposit date:2023-02-08
Release date:2023-03-08
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Integrated Assessment of the Structure and Dynamics of Solid Proteins.
J Phys Chem Lett, 14, 2023
8CF4
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BU of 8cf4 by Molmil
SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the combined correction method with PDB 2NUZ
Descriptor: Spectrin alpha chain, non-erythrocytic 1
Authors:Soeldner, B.
Deposit date:2023-02-02
Release date:2023-03-08
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Integrated Assessment of the Structure and Dynamics of Solid Proteins.
J Phys Chem Lett, 14, 2023
8CHG
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BU of 8chg by Molmil
SH3 domain solved by the exact solid-state method from the Bruker Dynamics Center using the correction for dipolar truncation with PDB 2NUZ
Descriptor: Spectrin alpha chain, non-erythrocytic 1
Authors:Soeldner, B.
Deposit date:2023-02-08
Release date:2023-03-08
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Integrated Assessment of the Structure and Dynamics of Solid Proteins.
J Phys Chem Lett, 14, 2023
8RW3
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BU of 8rw3 by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase, complexed with a non-covalent 1,2- Cyclophellitol aziridine
Descriptor: (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, OXALATE ION, ...
Authors:Moran, E, Davies, G, Ofamn, T, Heming, J, Nin-Hill, A, Kullmer, F, Steneker, R, Klein, A, Bennett, M, Ruijgrok, G, Kok, K, Aerts, J, Van der Marel, G, Rovira, C, Artola, M, Codee, J, Overkleeft, H.
Deposit date:2024-02-02
Release date:2024-05-15
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
6ZSU
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BU of 6zsu by Molmil
Structure of crocagin biosynthetic protein CgnE
Descriptor: CgnE
Authors:Adam, S, Koehnke, J.
Deposit date:2020-07-16
Release date:2022-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis.
Nat.Chem., 15, 2023
6ZSV
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BU of 6zsv by Molmil
Structure of crocagin biosynthetic protein CgnB
Descriptor: Uncharacterized protein, ZINC ION
Authors:Koehnke, J, Adam, S.
Deposit date:2020-07-16
Release date:2022-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis.
Nat.Chem., 15, 2023
4GLR
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BU of 4glr by Molmil
Structure of the anti-ptau Fab (pT231/pS235_1) in complex with phosphoepitope pT231/pS235
Descriptor: PHOSPHATE ION, anti-ptau heavy chain, anti-ptau light chain, ...
Authors:Tu, C, Mosyak, L, Bard, J.
Deposit date:2012-08-14
Release date:2012-11-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An Ultra-specific Avian Antibody to Phosphorylated Tau Protein Reveals a Unique Mechanism for Phosphoepitope Recognition.
J.Biol.Chem., 287, 2012
6SCW
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BU of 6scw by Molmil
SH3-subunit of chicken alpha spectrin solved by NMR
Descriptor: Spectrin alpha chain, non-erythrocytic 1 isoform X11
Authors:Grohe, K, Hebrank, C, Linser, R.
Deposit date:2019-07-25
Release date:2020-08-12
Last modified:2024-01-31
Method:SOLUTION NMR
Cite:Protein Motional Details Revealed by Complementary Structural Biology Techniques.
Structure, 28, 2020
7PD7
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BU of 7pd7 by Molmil
Crocagin methyl transferase CgnL
Descriptor: GLYCEROL, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Zheng, D, Koehnke, J.
Deposit date:2021-08-04
Release date:2022-08-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis.
Nat.Chem., 15, 2023
8A2N
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BU of 8a2n by Molmil
Structure of crocagin biosynthetic protein CgnD
Descriptor: CgnD, SULFATE ION
Authors:Adam, S, Koehnke, J.
Deposit date:2022-06-06
Release date:2023-02-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Unusual peptide-binding proteins guide pyrroloindoline alkaloid formation in crocagin biosynthesis.
Nat.Chem., 15, 2023
4L53
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BU of 4l53 by Molmil
Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ...
Authors:Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
Deposit date:2013-06-10
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.
Bioorg.Med.Chem.Lett., 23, 2013
4L52
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BU of 4l52 by Molmil
Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1
Descriptor: 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
Authors:Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
Deposit date:2013-06-10
Release date:2013-07-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
4L3P
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BU of 4l3p by Molmil
Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1
Descriptor: 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera
Authors:Wang, J, Hornberger, K.R, Crew, A.P, Steinbacher, S, Maskos, K, Moertl, M.
Deposit date:2013-06-06
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
5U1M
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BU of 5u1m by Molmil
Structure of the IRS-1 PTB Domain Bound to the Juxtamembrane Region of the Insulin Receptor
Descriptor: Insulin receptor, Insulin receptor substrate 1
Authors:Eck, M.J, Dhe-Paganon, S.
Deposit date:2016-11-28
Release date:2017-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Domain-dependent effects of insulin and IGF-1 receptors on signalling and gene expression.
Nat Commun, 8, 2017

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