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1SMY
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BU of 1smy by Molmil
Structural basis for transcription regulation by alarmone ppGpp
Descriptor: DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase beta' chain, ...
Authors:Artsimovitch, I, Patlan, V, Sekine, S, Vassylyeva, M.N, Hosaka, T, Ochi, K, Yokoyama, S, Vassylyev, D.G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-03-10
Release date:2004-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for transcription regulation by alarmone ppGpp
Cell(Cambridge,Mass.), 117, 2004
4BS1
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BU of 4bs1 by Molmil
MuB is an AAAplus ATPase that forms helical filaments to control target selection for DNA transposition
Descriptor: ADENOSINE-5'-DIPHOSPHATE, TRANSCRIPTIONAL REGULATOR (NTRC FAMILY)
Authors:Mizuno, N, Dramicanin, M, Mizuuchi, M, Adam, J, Wang, Y, Han, Y.W, Yang, W, Steven, A.C, Mizuuchi, K, Ramon-Maiques, S.
Deposit date:2013-06-06
Release date:2013-07-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (18 Å)
Cite:Mub is an Aaa+ ATPase that Forms Helical Filaments to Control Target Selection for DNA Transposition.
Proc.Natl.Acad.Sci.USA, 110, 2013
8HGM
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BU of 8hgm by Molmil
Structure of SARS-CoV-2 spike RBD in complex with neutralizing antibody NIV-11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-11 Fab heavy chain, NIV-11 Fab light chain, ...
Authors:Moriyama, S, Anraku, Y, Muranishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y.
Deposit date:2022-11-15
Release date:2023-10-25
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants.
Nat Commun, 14, 2023
8HGL
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BU of 8hgl by Molmil
SARS-CoV-2 spike in complex with neutralizing antibody NIV-11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-11 Fab heavy chain, ...
Authors:Moriyama, S, Anraku, Y, Muranishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y.
Deposit date:2022-11-15
Release date:2023-10-25
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants.
Nat Commun, 14, 2023
8HES
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BU of 8hes by Molmil
Crystal structure of SARS-CoV-2 RBD and NIV-10 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-10 Fab H-chain, NIV-10 Fab L-chain, ...
Authors:Moriyama, S, Anraku, Y, Taminishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y.
Deposit date:2022-11-08
Release date:2023-11-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants.
Nat Commun, 14, 2023
5ICP
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BU of 5icp by Molmil
CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(5-methyl-imidazo[5,1-b][1,3,4]thiadiazol-2-yl)-methanone
Descriptor: 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ...
Authors:Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K.
Deposit date:2016-02-23
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
5IDN
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BU of 5idn by Molmil
CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-methanone
Descriptor: 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ...
Authors:Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K.
Deposit date:2016-02-24
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59, 2016
2RSG
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BU of 2rsg by Molmil
Solution structure of the CERT PH domain
Descriptor: Collagen type IV alpha-3-binding protein
Authors:Sugiki, T, Takeuchi, K, Tokunaga, Y, Kumagai, K, Kawano, M, Nishijima, M, Hanada, K, Takahashi, H, Shimada, I.
Deposit date:2012-02-25
Release date:2012-08-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for the Golgi association by the pleckstrin homology domain of the ceramide trafficking protein (CERT)
J.Biol.Chem., 287, 2012
2C0Y
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BU of 2c0y by Molmil
THE CRYSTAL STRUCTURE OF A CYS25ALA MUTANT OF HUMAN PROCATHEPSIN S
Descriptor: PROCATHEPSIN S
Authors:Kaulmann, G, Palm, G.J, Schilling, K, Hilgenfeld, R, Wiederanders, B.
Deposit date:2005-09-08
Release date:2006-11-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of a Cys25 -> Ala Mutant of Human Procathepsin S Elucidates Enzyme-Prosequence Interactions.
Protein Sci., 15, 2006
2RQZ
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BU of 2rqz by Molmil
Structure of sugar modified epidermal growth factor-like repeat 12 of mouse Notch-1 receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose, Neurogenic locus notch homolog protein 1
Authors:Shimizu, K, Fujitani, N, Hosoguchi, K, Nishimura, S.
Deposit date:2010-02-26
Release date:2010-10-13
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor
J.Am.Chem.Soc., 132, 2010
1BZA
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BU of 1bza by Molmil
BETA-LACTAMASE TOHO-1 FROM ESCHERICHIA COLI TUH12191
Descriptor: BETA-LACTAMASE, SULFATE ION
Authors:Ibuka, A, Taguchi, A, Ishiguro, M, Fushinobu, S, Ishii, Y, Kamitori, S, Okuyama, K, Yamaguchi, K, Konno, M, Matsuzawa, H.
Deposit date:1998-10-28
Release date:1999-04-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the E166A mutant of extended-spectrum beta-lactamase Toho-1 at 1.8 A resolution.
J.Mol.Biol., 285, 1999
1CXZ
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BU of 1cxz by Molmil
CRYSTAL STRUCTURE OF HUMAN RHOA COMPLEXED WITH THE EFFECTOR DOMAIN OF THE PROTEIN KINASE PKN/PRK1
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, PROTEIN (HIS-TAGGED TRANSFORMING PROTEIN RHOA(0-181)), ...
Authors:Maesaki, R, Ihara, K, Shimizu, T, Kuroda, S, Kaibuchi, K, Hakoshima, T.
Deposit date:1999-08-31
Release date:1999-10-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structural basis of Rho effector recognition revealed by the crystal structure of human RhoA complexed with the effector domain of PKN/PRK1.
Mol.Cell, 4, 1999
8XGK
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BU of 8xgk by Molmil
Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors
Descriptor: (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
Authors:Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K.
Deposit date:2023-12-15
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
J.Med.Chem., 67, 2024
8XGV
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BU of 8xgv by Molmil
Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction (PPI) Inhibitors
Descriptor: (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
Authors:Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K.
Deposit date:2023-12-15
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
J.Med.Chem., 67, 2024
8WY1
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BU of 8wy1 by Molmil
The structure of cyclization domain in cyclic beta-1,2-glucan synthase from Thermoanaerobacter italicus
Descriptor: Glycosyltransferase 36
Authors:Tanaka, N, Saito, R, Kobayashi, K, Nakai, H, Kamo, S, Kuramochi, K, Taguchi, H, Nakajima, M, Masaike, T.
Deposit date:2023-10-30
Release date:2024-02-14
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Functional and structural analysis of a cyclization domain in a cyclic beta-1,2-glucan synthase.
Appl.Microbiol.Biotechnol., 108, 2024
6A22
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BU of 6a22 by Molmil
Ternary complex of Human ROR gamma Ligand Binding Domain With Compound T.
Descriptor: 2-[2-[1-~{tert}-butyl-5-(4-methoxyphenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-~{N}-(oxan-4-ylmethyl)ethanamide, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
Authors:Noguchi, M, Nomura, A, Doi, S, Yamaguchi, K, Adachi, T.
Deposit date:2018-06-08
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Ternary crystal structure of human ROR gamma ligand-binding-domain, an inhibitor and corepressor peptide provides a new insight into corepressor interaction
Sci Rep, 8, 2018
1DPF
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BU of 1dpf by Molmil
CRYSTAL STRUCTURE OF A MG-FREE FORM OF RHOA COMPLEXED WITH GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, RHOA
Authors:Shimizu, T, Ihara, K, Maesaki, R, Kuroda, S, Kaibuchi, K, Hakoshima, T.
Deposit date:1999-12-27
Release date:2000-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:An open conformation of switch I revealed by the crystal structure of a Mg2+-free form of RHOA complexed with GDP. Implications for the GDP/GTP exchange mechanism.
J.Biol.Chem., 275, 2000
6JT3
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BU of 6jt3 by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide
Descriptor: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tadano, G, Komano, K, Yoshida, S, Suzuki, S, Nakahara, K, Fuchino, K, Fujimoto, K, Matsuoka, E, Yamamoto, T, Asada, N, Ito, H, Sakaguchi, G, Kanegawa, N, Kido, Y, Ando, S, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Bergh, A.V.D, Austin, N, Gijsen, H.J.M, Yamano, Y, Iso, Y, Kusakabe, K.I.
Deposit date:2019-04-08
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of an Extremely Potent Thiazine-Based beta-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose.
J.Med.Chem., 62, 2019
6A8V
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BU of 6a8v by Molmil
PhoQ sensor domain (D179R mutant): analysis of internal cavity
Descriptor: Sensor protein PhoQ
Authors:Yoshitani, K, Ishii, E, Taniguchi, K, Sugimoto, H, Shiro, Y, Mori, H, Akiyama, Y, Kato, A, Utsumi, R, Eguchi, Y.
Deposit date:2018-07-10
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of an internal cavity in the PhoQ sensor domain for PhoQ activity and SafA-mediated control.
Biosci. Biotechnol. Biochem., 83, 2019
6A8U
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BU of 6a8u by Molmil
PhoQ sensor domain (wild type): analysis of internal cavity
Descriptor: Sensor protein PhoQ
Authors:Yoshitani, K, Ishii, E, Taniguchi, K, Sugimoto, H, Shiro, Y, Mori, H, Akiyama, Y, Kato, A, Utsumi, R, Eguchi, Y.
Deposit date:2018-07-10
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Identification of an internal cavity in the PhoQ sensor domain for PhoQ activity and SafA-mediated control.
Biosci. Biotechnol. Biochem., 83, 2019
1CL4
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BU of 1cl4 by Molmil
NUCLEOCAPSID PROTEIN FROM MASON-PFIZER MONKEY VIRUS (MPMV)
Descriptor: PROTEIN (GAG POLYPROTEIN), ZINC ION
Authors:Gao, Y, Kaluarachchi, K, Giedroc, D.P.
Deposit date:1999-05-06
Release date:1999-05-11
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of Mason-Pfizer monkey virus (MPMV) nucleocapsid protein.
Protein Sci., 7, 1998
4WJQ
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BU of 4wjq by Molmil
Crystal Structure of SUMO1 in complex with Daxx
Descriptor: Daxx, Small ubiquitin-related modifier 1
Authors:Cappadocia, L, Mascle, X.H, Bourdeau, V, Tremblay-Belzile, S, Chaker-Margot, M, Lussier-Price, M, Wada, J, Sakaguchi, K, Aubry, M, Ferbeyre, G, Omichinski, J.G.
Deposit date:2014-10-01
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and Functional Characterization of the Phosphorylation-Dependent Interaction between PML and SUMO1.
Structure, 23, 2015
3WMG
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BU of 3wmg by Molmil
Crystal structure of an inward-facing eukaryotic ABC multidrug transporter G277V/A278V/A279V mutant in complex with an cyclic peptide inhibitor, aCAP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP-binding cassette, sub-family B, ...
Authors:Kodan, A, Yamaguchi, T, Nakatsu, T, Sakiyama, K, Hipolito, C.J, Fujioka, A, Hirokane, R, Ikeguchi, K, Watanabe, B, Hirtake, J, Kimura, Y, Suga, H, Ueda, K, Kato, H.
Deposit date:2013-11-18
Release date:2014-04-30
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog.
Proc.Natl.Acad.Sci.USA, 111, 2014
5ZUI
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BU of 5zui by Molmil
Crystal Structure of HSP104 from Chaetomium thermophilum
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat Shock Protein 104, SULFATE ION
Authors:Hanazono, Y, Inoue, Y, Noguchi, K, Yohda, M, Shinohara, K, Takeda, K, Miki, K.
Deposit date:2018-05-07
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Split conformation of Chaetomium thermophilum Hsp104 disaggregase.
Structure, 2021
7YH6
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BU of 7yh6 by Molmil
Structure of SARS-CoV-2 spike RBD in complex with neutralizing antibody NIV-8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-8 Fab heavy chain, NIV-8 Fab light chain, ...
Authors:Moriyama, S, Anraku, Y, Muranishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y.
Deposit date:2022-07-12
Release date:2023-07-19
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants.
Nat Commun, 14, 2023

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