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PDB: 42880 results

4TQN
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BU of 4tqn by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UL04
Descriptor: 1,2-ETHANEDIOL, 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid, CREB-binding protein
Authors:Dong, J, Caflisch, A.
Deposit date:2014-06-11
Release date:2015-06-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of CREBBP Bromodomain Inhibitors by High-Throughput Docking and Hit Optimization Guided by Molecular Dynamics.
J.Med.Chem., 59, 2016
8C0B
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BU of 8c0b by Molmil
CryoEM structure of Aspergillus nidulans UTP-glucose-1-phosphate uridylyltransferase
Descriptor: UTP--glucose-1-phosphate uridylyltransferase
Authors:Han, X, D Angelo, C, Otamendi, A, Cifuente, J.O, de Astigarraga, E, Ochoa-Lizarralde, B, Grininger, M, Routier, F.H, Guerin, M.E, Fuehring, J, Etxebeste, O, Connell, S.R.
Deposit date:2022-12-16
Release date:2023-06-28
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:CryoEM analysis of the essential native UDP-glucose pyrophosphorylase from Aspergillus nidulans reveals key conformations for activity regulation and function.
Mbio, 14, 2023
6PWW
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BU of 6pww by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome
Descriptor: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
Deposit date:2019-07-23
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
8CII
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BU of 8cii by Molmil
Delta-RBD complex with BA.2-07 fab, SARS1-34 fab and C1 nanobody
Descriptor: BA.2-07 fab Heavy Chain, BA.2-07 fab Light Chain, C1 nanobody, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I, Fry, E.E.
Deposit date:2023-02-09
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Potent cross-reactive mAbs from BA.4/5 breakthrough infection
To Be Published
7UGB
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BU of 7ugb by Molmil
Crystal structure of rat ERK2 complexed with docking peptide from ISG20
Descriptor: Interferon-stimulated gene 20 kDa protein, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Torres Robles, J, Stiegler, A.L, Boggon, T.J, Turk, B.E.
Deposit date:2022-03-24
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:To be determined
To Be Published
8BYH
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BU of 8byh by Molmil
Crystal structure of TrmD domain from Calditerrivibrio nitroreducens in complex with S-adenosyl-L-methionine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Kluza, A, Lewandowska, I, Sulkowska, J.
Deposit date:2022-12-12
Release date:2023-01-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Are there double knots in proteins? Prediction and in vitro verification based on TrmD-Tm1570 fusion from C. nitroreducens. To be published
To Be Published
4J32
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BU of 4j32 by Molmil
Structure of the effector - immunity system Tae4 / Tai4 from Salmonella typhimurium
Descriptor: 2-ETHOXYETHANOL, CITRATE ANION, Putative cytoplasmic protein, ...
Authors:Benz, J, Reinstein, J, Meinhart, A.
Deposit date:2013-02-05
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights into the Effector - Immunity System Tae4/Tai4 from Salmonella typhimurium.
Plos One, 8, 2013
5WWJ
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BU of 5wwj by Molmil
Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
Authors:Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
Deposit date:2017-01-01
Release date:2018-01-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1).
To Be Published
2FQN
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BU of 2fqn by Molmil
Crystal structure of the Homo sapiens cytoplasmic ribosomal decoding A site
Descriptor: 5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*UP*CP*CP*GP*GP*AP*AP*AP*AP*GP*UP*CP*GP*C)-3', COBALT HEXAMMINE(III), MAGNESIUM ION
Authors:Kondo, J, Urzhumtsev, A, Westhof, E.
Deposit date:2006-01-18
Release date:2006-02-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Two conformational states in the crystal structure of the Homo sapiens cytoplasmic ribosomal decoding A site.
Nucleic Acids Res., 34, 2006
4J0M
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BU of 4j0m by Molmil
Crystal structure of BRL1 (LRR) in complex with brassinolide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Brassinolide, ...
Authors:Chai, J, She, J, Han, Z, Zhou, B.
Deposit date:2013-01-31
Release date:2013-07-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for differential recognition of brassinolide by its receptors
Protein Cell, 4, 2013
8BZV
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BU of 8bzv by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with adenosine
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D.
Deposit date:2022-12-15
Release date:2023-01-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16
To Be Published
4EL1
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BU of 4el1 by Molmil
Crystal structure of oxidized hPDI (abb'xa')
Descriptor: Protein disulfide-isomerase
Authors:Wang, C, Li, W, Ren, J, Ke, H, Gong, W, Feng, W, Wang, C.-C.
Deposit date:2012-04-10
Release date:2013-04-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.883 Å)
Cite:Structural insights into the redox-regulated dynamic conformations of human protein disulfide isomerase
Antioxid Redox Signal, 19, 2013
8C7Z
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BU of 8c7z by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308
Descriptor: 1,2-ETHANEDIOL, 9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine, AMMONIUM ION, ...
Authors:Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N.
Deposit date:2023-01-18
Release date:2023-02-01
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Discovery of Conformationally Constrained ALK2 Inhibitors.
J.Med.Chem., 67, 2024
6Q1Q
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BU of 6q1q by Molmil
A hypothetical aminotransferase from Mycobacterium tuberculosis, apo form
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Probable amino acid aminotransferase
Authors:Duan, L, Sacchettini, J.
Deposit date:2019-08-05
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A hypothetical aminotransferase from Mycobacterium tuberculosis
To Be Published
6Q2F
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BU of 6q2f by Molmil
Structure of Rhamnosidase from Novosphingobium sp. PP1Y
Descriptor: Glycoside hydrolase family protein, SODIUM ION
Authors:Terry, B, Ha, J, Izzo, V, Sazinsky, M.H.
Deposit date:2019-08-07
Release date:2019-11-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.20000076 Å)
Cite:The crystal structure and insight into the substrate specificity of the alpha-L rhamnosidase RHA-P from Novosphingobium sp. PP1Y.
Arch.Biochem.Biophys., 679, 2019
8C7W
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BU of 8c7w by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2304
Descriptor: 1,2-ETHANEDIOL, 6-methyl-9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine, Activin receptor type I, ...
Authors:Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N.
Deposit date:2023-01-17
Release date:2023-02-08
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Discovery of Conformationally Constrained ALK2 Inhibitors.
J.Med.Chem., 67, 2024
7JW6
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BU of 7jw6 by Molmil
Crystal structure of Drosophila Nibbler EXO domain
Descriptor: Exonuclease mut-7 homolog
Authors:Xie, W, Sowemimo, I, Hayashi, R, Wang, J, Brennecke, J, Ameres, S.L, Patel, D.J.
Deposit date:2020-08-24
Release date:2021-01-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-function analysis of microRNA 3'-end trimming by Nibbler.
Proc.Natl.Acad.Sci.USA, 117, 2020
2O1Z
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BU of 2o1z by Molmil
Plasmodium vivax Ribonucleotide Reductase Subunit R2 (Pv086155)
Descriptor: FE (III) ION, Ribonucleotide Reductase Subunit R2, UNKNOWN ATOM OR ION
Authors:Dong, A, Tempel, W, Qiu, W, Lew, J, Wernimont, A.K, Lin, Y.H, Hassanali, A, Melone, M, Zhao, Y, Nordlund, P, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2006-11-29
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Plasmodium vivax Ribonucleotide Reductase Subunit R2 (Pv086155)
To be Published
8BYK
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BU of 8byk by Molmil
The structure of MadC from Clostridium maddingley reveals new insights into class I lanthipeptide cyclases
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Knospe, C.V, Kamel, M, Spitz, O, Hoeppner, A, Galle, S, Reiners, J, Kedrov, A, Smits, S.H, Schmitt, L.
Deposit date:2022-12-13
Release date:2023-02-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of MadC from Clostridium maddingley reveals new insights into class I lanthipeptide cyclases.
Front Microbiol, 13, 2022
1A94
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BU of 1a94 by Molmil
STRUCTURAL BASIS FOR SPECIFICITY OF RETROVIRAL PROTEASES
Descriptor: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE
Authors:Wu, J, Adomat, J.M, Ridky, T.W, Louis, J.M, Leis, J, Harrison, R.W, Weber, I.T.
Deposit date:1998-04-16
Release date:1999-01-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for specificity of retroviral proteases.
Biochemistry, 37, 1998
2FSP
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BU of 2fsp by Molmil
NMR SOLUTION STRUCTURE OF BACILLUS SUBTILIS SPO0F PROTEIN, MINIMIZED AVERAGE STRUCTURE
Descriptor: STAGE 0 SPORULATION PROTEIN F
Authors:Feher, V.A, Skelton, N.J, Dahlquist, F.W, Cavanagh, J.
Deposit date:1997-06-06
Release date:1997-12-10
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:High-resolution NMR structure and backbone dynamics of the Bacillus subtilis response regulator, Spo0F: implications for phosphorylation and molecular recognition.
Biochemistry, 36, 1997
6PSR
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BU of 6psr by Molmil
Escherichia coli RNA polymerase promoter unwinding intermediate (TRPi1) with TraR and rpsT P2 promoter
Descriptor: CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
Deposit date:2019-07-13
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Stepwise Promoter Melting by Bacterial RNA Polymerase.
Mol.Cell, 78, 2020
5UY8
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BU of 5uy8 by Molmil
Crystal structure of AICARFT bound to an antifolate
Descriptor: 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ...
Authors:Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D.
Deposit date:2017-02-23
Release date:2018-01-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
8CKS
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BU of 8cks by Molmil
Crystal structure of Human Serum Albumin in complex with FESAN
Descriptor: 3,3'-commo-bis(1,2-dicarba-3-ferra-closo-dodecaborane), DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Dolot, R.M, Kaniowski, D, Ebenryter-Olbinska, K, Szczupak, P, Suwara, J, Nawrot, B.C.
Deposit date:2023-02-16
Release date:2023-03-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Human Serum Albumin in complex with FESAN
To Be Published
5UZ0
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BU of 5uz0 by Molmil
Crystal structure of AICARFT bound to an antifolate
Descriptor: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, MAGNESIUM ION, ...
Authors:Atwell, S, Wang, Y, Fales, K.R, Clawson, D, Wang, J.
Deposit date:2017-02-24
Release date:2018-01-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017

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