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6WCR
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BU of 6wcr by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule F0045(S)
Descriptor: (2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:kadam, R.U, Wilson, I.A.
Deposit date:2020-03-31
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:An influenza A hemagglutinin small-molecule fusion inhibitor identified by a new high-throughput fluorescence polarization screen.
Proc.Natl.Acad.Sci.USA, 117, 2020
5W5J
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BU of 5w5j by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases
Descriptor: N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION
Authors:Kreusch, A, Spraggon, G.
Deposit date:2017-06-15
Release date:2017-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5WXL
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BU of 5wxl by Molmil
Crystal structure of the Rrs1 and Rpf2 complex
Descriptor: Regulator of ribosome biosynthesis, Ribosome biogenesis protein RPF2
Authors:Ye, K, Zheng, S.
Deposit date:2017-01-07
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
5W5O
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BU of 5w5o by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.
Descriptor: 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine, Receptor-interacting serine/threonine-protein kinase 2
Authors:Kreusch, A, Spraggon, G.
Deposit date:2017-06-15
Release date:2017-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
4M5Z
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BU of 4m5z by Molmil
Crystal structure of broadly neutralizing antibody 5J8 bound to 2009 pandemic influenza hemagglutinin, HA1 subunit
Descriptor: Fab 5J8 heavy chain, Fab 5J8 light chain, Hemagglutinin HA1 chain
Authors:Hong, M, Lee, P.S, Wilson, I.A.
Deposit date:2013-08-08
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site.
J.Virol., 87, 2013
4M5Y
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BU of 4m5y by Molmil
Crystal structure of broadly neutralizing Fab 5J8
Descriptor: DI(HYDROXYETHYL)ETHER, Fab 5J8 heavy chain, Fab 5J8 light chain, ...
Authors:Lee, P.S, Wilson, I.A.
Deposit date:2013-08-08
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site.
J.Virol., 87, 2013
5WWN
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BU of 5wwn by Molmil
Crystal structure of Tsr1
Descriptor: Ribosome biogenesis protein TSR1, SULFATE ION
Authors:Ye, K, Wang, B.
Deposit date:2017-01-03
Release date:2017-06-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
5WXM
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BU of 5wxm by Molmil
Crystal structure of the Imp3 and Mpp10 complex
Descriptor: SULFATE ION, U3 small nucleolar RNA-associated protein MPP10, U3 small nucleolar ribonucleoprotein protein IMP3
Authors:Ye, K, Zheng, S.
Deposit date:2017-01-07
Release date:2017-06-28
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
5WWO
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BU of 5wwo by Molmil
Crystal structure of Enp1
Descriptor: Essential nuclear protein 1, Protein LTV1
Authors:Ye, K, Zhang, W.
Deposit date:2017-01-03
Release date:2017-06-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
4J1U
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BU of 4j1u by Molmil
Crystal structure of antibody 93F3 unstable variant
Descriptor: antibody 93F3 Heavy chain, antibody 93F3 Light chain
Authors:Wang, F.
Deposit date:2013-02-02
Release date:2013-03-13
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Somatic hypermutation maintains antibody thermodynamic stability during affinity maturation.
Proc.Natl.Acad.Sci.USA, 110, 2013
6J1O
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BU of 6j1o by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI from Aspergillus flavus
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, O-methyltransferase lepI, S-ADENOSYLMETHIONINE
Authors:Qiu, S, Wei, C.
Deposit date:2018-12-28
Release date:2019-05-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6J46
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BU of 6j46 by Molmil
LepI-SAH complex structure
Descriptor: O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Qiu, S, Wei, C.
Deposit date:2019-01-08
Release date:2019-05-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.621 Å)
Cite:Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6J24
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BU of 6j24 by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate
Descriptor: (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione, O-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Qiu, S, Wei, C.
Deposit date:2018-12-30
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
4G1A
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BU of 4g1a by Molmil
Metal-binding properties of a self-assembled coiled coil: formation of a polynuclear Cd-thiolated cluster
Descriptor: AQ-C16C19 peptide, CADMIUM ION
Authors:Ni, S, Kennedy, M.A, Ogawa, M.Y.
Deposit date:2012-07-10
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Metal-binding properties and structural characterization of a self-assembled coiled coil: Formation of a polynuclear Cd-thiolate cluster.
J.Inorg.Biochem., 119C, 2012
4GH6
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BU of 4gh6 by Molmil
Crystal structure of the PDE9A catalytic domain in complex with inhibitor 28
Descriptor: High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, N-(4-methoxyphenyl)-N~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-L-alaninamide, ...
Authors:Hou, J, Ke, H.
Deposit date:2012-08-07
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Based Discovery of Highly Selective Phosphodiesterase-9A Inhibitors and Implications for Inhibitor Design.
J.Med.Chem., 55, 2012
8JH7
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BU of 8jh7 by Molmil
FZD6 in inactive state
Descriptor: Frizzled-6,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, anti-BRIL Fab Light chain, ...
Authors:Xu, F, Zhang, Z.
Deposit date:2023-05-22
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8JHC
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BU of 8jhc by Molmil
FZD3 in inactive state
Descriptor: Frizzled-3,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, anti-BRIL Fab Light chain, ...
Authors:Xu, F, Zhang, Z.
Deposit date:2023-05-23
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8JHB
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BU of 8jhb by Molmil
FZD6 Gs complex
Descriptor: Frizzled-6, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, F, Zhang, Z.
Deposit date:2023-05-23
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8JHI
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BU of 8jhi by Molmil
FZD3-Gs complex
Descriptor: Frizzled-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, F, Zhang, Z.
Deposit date:2023-05-23
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
7LGS
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BU of 7lgs by Molmil
Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib.
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
Authors:Skene, R.J, Lane, W.
Deposit date:2021-01-21
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mobocertinib (TAK-788): A Targeted Inhibitor of EGFR Exon 20 Insertion Mutants in Non-Small Cell Lung Cancer.
Cancer Discov, 11, 2021
5I40
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BU of 5i40 by Molmil
BRD9 in complex with Cpd1 (6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
Descriptor: 1,2-ETHANEDIOL, 6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Bromodomain-containing protein 9, ...
Authors:Murray, J.M.
Deposit date:2016-02-11
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.0402 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
5I29
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BU of 5i29 by Molmil
TAF1(2) bound to a pyrrolopyridone compound
Descriptor: CALCIUM ION, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1
Authors:Tang, Y, Poy, F, Bellon, S.F.
Deposit date:2016-02-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
2OFV
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BU of 2ofv by Molmil
crystal structure of aminoquinazoline 1 bound to Lck
Descriptor: 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK
Authors:Huang, X.
Deposit date:2007-01-04
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity
J.Med.Chem., 49, 2006
5I7X
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BU of 5i7x by Molmil
BRD9 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide)
Descriptor: Bromodomain-containing protein 9, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
Authors:Murray, J.M.
Deposit date:2016-02-18
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.1752 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
2OFU
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BU of 2ofu by Molmil
x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck
Descriptor: 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
Authors:Huang, X.
Deposit date:2007-01-04
Release date:2007-02-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel 2-Aminopyrimidine Carbamates as Potent and Orally Active Inhibitors of Lck: Synthesis, SAR, and in Vivo Antiinflammatory Activity
J.Med.Chem., 49, 2006

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数据于2024-06-12公开中

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