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7E0Q
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BU of 7e0q by Molmil
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1S,2R)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (22)
Descriptor: (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, G.-B, Ning, X.-L.
Deposit date:2021-01-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.462 Å)
Cite:X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
4NIE
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BU of 4nie by Molmil
Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with small molecule ligand
Descriptor: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
Authors:Ma, Y.L, Yang, L.Q.
Deposit date:2013-11-06
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of Tertiary Amine and Indole Derivatives as Potent ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 5, 2014
2FCJ
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BU of 2fcj by Molmil
Structure of small TOPRIM domain protein from Bacillus stearothermophilus.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, SULFATE ION, ...
Authors:Rezacova, P, Chen, Y, Borek, D, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-12-12
Release date:2006-01-24
Last modified:2012-10-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure and putative function of small Toprim domain-containing protein from Bacillus stearothermophilus.
Proteins, 70, 2008
3CAJ
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BU of 3caj by Molmil
Crystal structure of the human carbonic anhydrase II in complex with ethoxzolamide
Descriptor: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2008-02-20
Release date:2008-04-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Carbonic anhydrase inhibitors: the X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
2QYL
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BU of 2qyl by Molmil
Crystal structure of PDE4B2B in complex with inhibitor NPV
Descriptor: 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid, MAGNESIUM ION, Phosphodiesterase 4B, ...
Authors:Ke, H.
Deposit date:2007-08-15
Release date:2008-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors.
Biochem.J., 408, 2007
2QYM
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BU of 2qym by Molmil
crystal structure of unliganded PDE4C2
Descriptor: MAGNESIUM ION, Phosphodiesterase 4C, ZINC ION
Authors:Ke, H.
Deposit date:2007-08-15
Release date:2008-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the four subfamilies of phosphodiesterase-4 provide insight into the selectivity of their inhibitors.
Biochem.J., 408, 2007
7BZH
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BU of 7bzh by Molmil
Solution structure of a DNA binding protein from Sulfolobus islandicus
Descriptor: Sul7s
Authors:Zhang, Z, Liu, X.
Deposit date:2020-04-28
Release date:2021-04-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A Novel Family of Winged-Helix Single-Stranded DNA-Binding Proteins from Archaea.
Int J Mol Sci, 23, 2022
4JRC
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BU of 4jrc by Molmil
Distal Stem I region from G. kaustophilus glyQS T box RNA
Descriptor: Distal Stem I region of the glyQS T box leader RNA, MAGNESIUM ION
Authors:Grigg, J.C, Ke, A.
Deposit date:2013-03-21
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.673 Å)
Cite:T box RNA decodes both the information content and geometry of tRNA to affect gene expression.
Proc.Natl.Acad.Sci.USA, 110, 2013
7C8G
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BU of 7c8g by Molmil
Structure of alginate lyase AlyC3
Descriptor: Alginate lyase AlyC3, GLYCEROL, SUCCINIC ACID
Authors:Zhang, Y.Z, Xu, F, Chen, X.L, Wang, P.
Deposit date:2020-05-30
Release date:2020-10-07
Last modified:2020-12-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and molecular basis for the substrate positioning mechanism of a new PL7 subfamily alginate lyase from the arctic.
J.Biol.Chem., 295, 2020
7C8F
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BU of 7c8f by Molmil
Structure of alginate lyase AlyC3 in complex with dimannuronate(2M)
Descriptor: H127A/Y244A mutant of alginate lyase AlyC3 in complex with dimannuronate, MALONATE ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Zhang, Y.Z, Xu, F, Chen, X.L, Wang, P.
Deposit date:2020-05-30
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:Structural and molecular basis for the substrate positioning mechanism of a new PL7 subfamily alginate lyase from the arctic.
J.Biol.Chem., 295, 2020
7CQQ
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BU of 7cqq by Molmil
GmaS in complex with AMPPNP and MetSox
Descriptor: (2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2020-08-11
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
7CQL
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BU of 7cql by Molmil
Apo GmaS without ligand
Descriptor: Type III glutamate--ammonia ligase
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2020-08-11
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
7CQN
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BU of 7cqn by Molmil
GmaS in complex with AMPPCP
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Type III glutamate--ammonia ligase
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2020-08-11
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
7CQU
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BU of 7cqu by Molmil
GmaS/ADP/MetSox-P complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, MAGNESIUM ION, ...
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2020-08-11
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
J.Biol.Chem., 296, 2020
7CM9
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BU of 7cm9 by Molmil
DMSP lyase DddX
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DMSP lyase, SULFATE ION
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2020-07-25
Release date:2021-05-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:A novel ATP dependent dimethylsulfoniopropionate lyase in bacteria that releases dimethyl sulfide and acryloyl-CoA.
Elife, 10, 2021
3IOV
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BU of 3iov by Molmil
Huntingtin amino-terminal region with 17 Gln residues - crystal C99
Descriptor: CALCIUM ION, Maltose-binding periplasmic protein,Huntingtin, ZINC ION
Authors:Kim, M.W.
Deposit date:2009-08-14
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Secondary structure of Huntingtin amino-terminal region.
Structure, 17, 2009
3IOU
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BU of 3iou by Molmil
Huntingtin amino-terminal region with 17 Gln residues - crystal C94
Descriptor: CALCIUM ION, Maltose-binding periplasmic protein,Huntingtin, ZINC ION
Authors:Kim, M.W.
Deposit date:2009-08-14
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Secondary structure of Huntingtin amino-terminal region.
Structure, 17, 2009
3IOT
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BU of 3iot by Molmil
Huntingtin amino-terminal region with 17 Gln residues - crystal C92-b
Descriptor: CALCIUM ION, Maltose-binding periplasmic protein,Huntingtin, ZINC ION
Authors:Kim, M.W.
Deposit date:2009-08-14
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Secondary structure of Huntingtin amino-terminal region.
Structure, 17, 2009
3IOR
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BU of 3ior by Molmil
Huntingtin amino-terminal region with 17 Gln residues - crystal C95
Descriptor: CALCIUM ION, Maltose-binding protein, huntingtin fusion protein, ...
Authors:Kim, M.W.
Deposit date:2009-08-14
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Secondary structure of Huntingtin amino-terminal region.
Structure, 17, 2009
3IOW
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BU of 3iow by Molmil
Huntingtin amino-terminal region with 17 Gln residues - crystal C99-Hg
Descriptor: CALCIUM ION, Maltose-binding periplasmic protein,Huntingtin, ZINC ION
Authors:Kim, M.W.
Deposit date:2009-08-14
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Secondary structure of Huntingtin amino-terminal region.
Structure, 17, 2009
7JHD
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BU of 7jhd by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with TTC-352 and GRIP Peptide
Descriptor: 3-(4-fluorophenyl)-2-(4-hydroxyphenoxy)-1-benzothiophene-6-ol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Fanning, S.W, Abderraman, B, Maximov, P.Y, Jordan, V.C, Greene, G.L.
Deposit date:2020-07-20
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Rapid Induction of the Unfolded Protein Response and Apoptosis by Estrogen Mimic TTC-352 for the Treatment of Endocrine-Resistant Breast Cancer.
Mol.Cancer Ther., 20, 2021
7EXM
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BU of 7exm by Molmil
The N-terminal crystal structure of SARS-CoV-2 NSP2
Descriptor: GLYCEROL, Non-structural protein 2, ZINC ION
Authors:Ma, J, Chen, Z.
Deposit date:2021-05-27
Release date:2021-06-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure and Function of N-Terminal Zinc Finger Domain of SARS-CoV-2 NSP2.
Virol Sin, 36, 2021
3K1O
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BU of 3k1o by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole
Descriptor: 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-O-{4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1H-1,2,4-triazol-1-yl)-D-erythro-hexitol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14 alpha-demethylase
Authors:Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R.
Deposit date:2009-09-28
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
5TTC
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BU of 5ttc by Molmil
XFEL structure of influenza A M2 wild type TM domain at high pH in the lipidic cubic phase at room temperature
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
Deposit date:2016-11-02
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6HS7
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BU of 6hs7 by Molmil
Type VI membrane complex
Descriptor: ImcF-like family protein, Type VI secretion system protein VasD
Authors:Rapisarda, C, Fronzes, R.
Deposit date:2018-09-28
Release date:2019-03-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:In situand high-resolution cryo-EM structure of a bacterial type VI secretion system membrane complex.
Embo J., 38, 2019

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