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8QZD
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BU of 8qzd by Molmil
Soluble epoxide hydrolase in complex with Epoxykinin
Descriptor: 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ...
Authors:Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-10-27
Release date:2024-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator.
J.Med.Chem., 67, 2024
3MAF
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BU of 3maf by Molmil
Crystal structure of StSPL (asymmetric form)
Descriptor: CHLORIDE ION, PHOSPHATE ION, sphingosine-1-phosphate lyase
Authors:Bourquin, F, Grutter, M.G, Capitani, G.
Deposit date:2010-03-23
Release date:2010-08-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.971 Å)
Cite:Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010
2JVK
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BU of 2jvk by Molmil
NMR Solution Structure of the Hyper-Sporulation Response Regulator Spo0F Mutant L66A from Bacillus subtilis
Descriptor: Sporulation initiation phosphotransferase F
Authors:Bobay, B.G, McLaughlin, P.D, Thompson, R.J, Hoch, J.A, Cavanagh, J.
Deposit date:2007-09-20
Release date:2008-02-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Covariance identifies dynamic residues at the interfaces in protein/protein complexes
To be Published
5XFE
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BU of 5xfe by Molmil
Luciferin-regenerating enzyme solved by SAD using XFEL (refined against 11,000 patterns)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ...
Authors:Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T.
Deposit date:2017-04-10
Release date:2017-08-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
4N4V
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BU of 4n4v by Molmil
Co-crystal structure of tankyrase 1 with compound 4 [(4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one]
Descriptor: (4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-10-08
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
3NXE
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BU of 3nxe by Molmil
X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with MVT-101 inhibitor
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, protease covalent dimer
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2010-07-13
Release date:2011-11-02
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
2JVJ
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BU of 2jvj by Molmil
NMR Solution Structure of the Hyper-Sporulation Response Regulator Spo0F Mutant I90A from Bacillus subtilis
Descriptor: Sporulation initiation phosphotransferase F
Authors:Bobay, B.G, McLaughlin, P.D, Thompson, R.J, Hoch, J.A, Cavanagh, J.
Deposit date:2007-09-20
Release date:2008-02-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Covariance identifies dynamic residues at the interfaces in protein/protein complexes
To be Published
2JVI
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BU of 2jvi by Molmil
NMR Solution Structure of the Hyper-Sporulation Response Regulator Spo0F Mutant H101A from Bacillus subtilis
Descriptor: Sporulation initiation phosphotransferase F
Authors:Bobay, B.G, McLaughlin, P.D, Thompson, R.J, Hoch, J.A, Cavanagh, J.
Deposit date:2007-09-20
Release date:2008-02-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Covariance identifies dynamic residues at the interfaces in protein/protein complexes
To be Published
2BCG
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BU of 2bcg by Molmil
Structure of doubly prenylated Ypt1:GDI complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GERAN-8-YL GERAN, GTP-binding protein YPT1, ...
Authors:Pylypenko, O, Rak, A, Alexandrov, K.
Deposit date:2005-10-19
Release date:2006-01-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structure of doubly prenylated Ypt1:GDI complex and the mechanism of GDI-mediated Rab recycling
Embo J., 25, 2006
5X7E
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BU of 5x7e by Molmil
Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) in complex with 1,25-dihydroxyvitamin D2
Descriptor: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr o-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, PROTOPORPHYRIN IX CONTAINING FE, Vitamin D3 dihydroxylase
Authors:Hayashi, K, Yasuda, K, Shiro, Y, Sugimoto, H, Sakaki, T.
Deposit date:2017-02-25
Release date:2017-05-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Production of an active form of vitamin D2 by genetically engineered CYP105A1
Biochem. Biophys. Res. Commun., 486, 2017
7RBY
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BU of 7rby by Molmil
Crystal structure of Nanobody nb112 and SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ilama-isolated nanobody NIH-CoV nb-112 specific to SARS-CoV-2 RBD, MAGNESIUM ION, ...
Authors:Chen, Y, Tolbert, W, Pazgier, M.
Deposit date:2021-07-06
Release date:2022-03-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Nebulized delivery of a broadly neutralizing SARS-CoV-2 RBD-specific nanobody prevents clinical, virological, and pathological disease in a Syrian hamster model of COVID-19.
Mabs, 14
5JFT
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BU of 5jft by Molmil
Zebra Fish Caspase-3
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ...
Authors:Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C.
Deposit date:2016-04-19
Release date:2016-10-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish.
Protein Sci., 25, 2016
8DNT
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BU of 8dnt by Molmil
SARS-CoV-2 specific T cell receptor
Descriptor: Beta-2-microglobulin, MHC class I antigen alpha chain, Nucleoprotein, ...
Authors:Gallagher, D.T, Wu, D, Gowthaman, R, Pierce, B.G, Mariuzza, R.A, Weng, N.P.
Deposit date:2022-07-11
Release date:2023-07-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:SARS-CoV-2 infection establishes a stable and age-independent CD8 + T cell response against a dominant nucleocapsid epitope using restricted T cell receptors.
Nat Commun, 14, 2023
1GTV
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BU of 1gtv by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE-5'-DIPHOSPHATE (TDP)
Descriptor: ACETATE ION, MAGNESIUM ION, SULFATE ION, ...
Authors:Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D.
Deposit date:2002-01-21
Release date:2002-03-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals
Acta Crystallogr.,Sect.D, 58, 2002
4MSK
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BU of 4msk by Molmil
Co-crystal structure of tankyrase 1 with compound 34
Descriptor: 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-09-18
Release date:2013-12-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
4MT9
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BU of 4mt9 by Molmil
Co-crystal structure of tankyrase 1 with compound 49
Descriptor: N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-09-19
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
4MSG
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BU of 4msg by Molmil
Crystal structure of tankyrase 1 with compound 22
Descriptor: 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-09-18
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
1GSI
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BU of 1gsi by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP)
Descriptor: ACETATE ION, MAGNESIUM ION, SULFATE ION, ...
Authors:Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D.
Deposit date:2002-01-03
Release date:2002-03-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals
Acta Crystallogr.,Sect.D, 58, 2002
2EU1
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BU of 2eu1 by Molmil
Crystal structure of the chaperonin GroEL-E461K
Descriptor: GROEL
Authors:Cabo-Bilbao, A, Spinelli, S, Sot, B, Agirre, J, Mechaly, A.E, Muga, A, Guerin, D.M.A.
Deposit date:2005-10-28
Release date:2006-08-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Crystal structure of the temperature-sensitive and allosteric-defective chaperonin GroEL(E461K).
J.Struct.Biol., 155, 2006
4I8N
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BU of 4i8n by Molmil
CRYSTAL STRUCTURE of PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN INHIBITOR [(4-{(2S)-2-(1,3-BENZOXAZOL-2-YL)-2-[(4-FLUOROPHENYL)SULFAMOYL]ETHYL}PHENYL)AMINO](OXO)ACETIC ACID
Descriptor: Tyrosine-protein phosphatase non-receptor type 1, [(4-{(2S)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid
Authors:Reddy, S.M.V.V.V, Rao, K.N, Subramanya, H.
Deposit date:2012-12-03
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-Ray Structure of PTP1B in Complex with a New PTP1B Inhibitor.
Protein Pept.Lett., 21, 2014
3QSL
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BU of 3qsl by Molmil
Structure of CAE31940 from Bordetella bronchiseptica RB50
Descriptor: CITRIC ACID, Putative exported protein
Authors:Bajor, J, Kagan, O, Chruszcz, M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-02-21
Release date:2011-03-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of pyrimidine/thiamin biosynthesis precursor-like domain-containing protein CAE31940 from proteobacterium Bordetella bronchiseptica RB50, and evolutionary insight into the NMT1/THI5 family.
J Struct Funct Genomics, 15, 2014
1WWH
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BU of 1wwh by Molmil
Crystal structure of the MPPN domain of mouse Nup35
Descriptor: nucleoporin 35
Authors:Handa, N, Murayama, K, Kukimoto, M, Hamana, H, Uchikubo, T, Takemoto, C, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-01-05
Release date:2005-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of mouse Nup35 reveals atypical RNP motifs and novel homodimerization of the RRM domain
J.Mol.Biol., 363, 2006
7TJE
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BU of 7tje by Molmil
Bacteriophage Q beta capsid protein A38K
Descriptor: Minor capsid protein A1
Authors:Jin, X.
Deposit date:2022-01-16
Release date:2023-01-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Alternative Assembly of Q beta Virus-like Particles
To Be Published
7TJG
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BU of 7tjg by Molmil
Bacteriophage Q beta capsid protein, A38K/A40C/D102C in T1 symmetry
Descriptor: Minor capsid protein A1
Authors:Jin, X.
Deposit date:2022-01-16
Release date:2023-01-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.903 Å)
Cite:Alternative Assembly of Q beta Virus-like Particles
To Be Published
7TJM
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BU of 7tjm by Molmil
Bacteriophage Q beta capsid protein in T3 symmetry
Descriptor: Minor capsid protein A1
Authors:Jin, X.
Deposit date:2022-01-16
Release date:2023-01-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.54 Å)
Cite:Alternative Assembly of Q beta Virus-like Particles
To Be Published

227344

数据于2024-11-13公开中

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