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6IMB
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BU of 6imb by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
Authors:Zhang, X, Su, H, Xu, Y.
Deposit date:2018-10-22
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMI
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BU of 6imi by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
Authors:Zhang, X, Su, H, Xu, Y.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMD
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BU of 6imd by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
Authors:Zhang, X, Su, H, Xu, Y.
Deposit date:2018-10-22
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6J2S
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BU of 6j2s by Molmil
Structure of HitA bound to gallium from Pseudomonas aeruginosa
Descriptor: Ferric iron-binding periplasmic protein, GALLIUM (III) ION, PHOSPHATE ION
Authors:Guo, Y, Li, H.Y, Sun, H.Z, Xia, W.
Deposit date:2019-01-02
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.73005116 Å)
Cite:Identification and Characterization of a Metalloprotein Involved in Gallium Internalization in Pseudomonas aeruginosa.
Acs Infect Dis., 5, 2019
6IG9
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BU of 6ig9 by Molmil
Tra1 subunit from Saccharomyces cerevisiae SAGA complex
Descriptor: Transcription-associated protein 1
Authors:Zheng, X.D, Liu, G.C, Guan, H.P, Li, H.T.
Deposit date:2018-09-25
Release date:2019-05-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Architecture ofSaccharomyces cerevisiaeSAGA complex.
Cell Discov, 5, 2019
6IMR
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BU of 6imr by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6INM
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BU of 6inm by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-26
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6INK
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BU of 6ink by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-25
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IND
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BU of 6ind by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-24
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.872 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMO
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BU of 6imo by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
2OY0
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BU of 2oy0 by Molmil
Crystal structure of the West Nile virus methyltransferase
Descriptor: Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Li, H.M, Zhao, Y.W, Guo, Y, Shi, P.Y.
Deposit date:2007-02-21
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and Function of Flavivirus NS5 Methyltransferase.
J.Virol., 81, 2007
6JCS
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BU of 6jcs by Molmil
AAV5 in complex with AAVR
Descriptor: Capsid protein, Dyslexia-associated protein KIAA0319-like protein
Authors:Lou, Z, Zhang, R.
Deposit date:2019-01-30
Release date:2019-08-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
6JCR
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BU of 6jcr by Molmil
AAV1 in neutral condition at 3.07 Ang
Descriptor: Capsid protein
Authors:Lou, Z, Zhang, R.
Deposit date:2019-01-30
Release date:2019-10-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
6J8L
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BU of 6j8l by Molmil
Phytophthora sojae effector PsAvh240 inhibits a host aspartic protease secretion to promote infection
Descriptor: Avh240, SULFATE ION
Authors:Guo, B.
Deposit date:2019-01-19
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Phytophthora sojae Effector PsAvh240 Inhibits Host Aspartic Protease Secretion to Promote Infection.
Mol Plant, 12, 2019
6J9J
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BU of 6j9j by Molmil
crystal structure of SESTD2 in complex with H3.3S31phK36M peptide
Descriptor: H3.3S31phK36M(29-42), Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Yang, S, Li, H.T.
Deposit date:2019-01-23
Release date:2020-02-26
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Histone H3.3 phosphorylation amplifies stimulation-induced transcription.
Nature, 583, 2020
8WYF
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BU of 8wyf by Molmil
Cryo-EM structure of DSR2-DSAD1-NAD+ (partial) complex
Descriptor: Bacillus phage SPbeta DSAD1 protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2 family protein
Authors:Zhang, J.T, Jia, N, Liu, X.Y.
Deposit date:2023-10-30
Release date:2024-04-10
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
8WYC
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BU of 8wyc by Molmil
Cryo-EM structure of DSR2 (H171A)-tube-NAD+ (partial) complex
Descriptor: Bacillus phage SPR Tube protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2-like domain-containing protein
Authors:Zhang, J.T, Jia, N, Liu, X.Y.
Deposit date:2023-10-30
Release date:2024-04-10
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
8WY8
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BU of 8wy8 by Molmil
Cryo-EM structure of DSR2 apo complex
Descriptor: SIR2 family protein
Authors:Zhang, J.T, Jia, N, Liu, X.Y.
Deposit date:2023-10-30
Release date:2024-04-10
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
8WYB
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BU of 8wyb by Molmil
Cryo-EM structure of DSR2 (H171A)-tube-NAD+ complex
Descriptor: Bacillus phage SPR Tube protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SIR2-like domain-containing protein
Authors:Zhang, J.T, Jia, N, Liu, X.Y.
Deposit date:2023-10-30
Release date:2024-04-10
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Structural basis for phage-mediated activation and repression of bacterial DSR2 anti-phage defense system.
Nat Commun, 15, 2024
8XLQ
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BU of 8xlq by Molmil
FGFR4 kinase domain with a dual-warhead covalent inhibitor CXF-007
Descriptor: CXF007, Fibroblast growth factor receptor 4, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
8XLO
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BU of 8xlo by Molmil
FGFR1 kinase domain with a dual-warhead covalent inhibitor CXF-007
Descriptor: CXF007, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2023-12-26
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Design, synthesis, and biological evaluation of selective covalent inhibitors of FGFR4.
Eur.J.Med.Chem., 268, 2024
4MXM
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BU of 4mxm by Molmil
Crystal structure of superantigen pfit
Descriptor: Transcriptional regulator I2
Authors:Liu, L.H, Chen, H, Li, H.M.
Deposit date:2013-09-26
Release date:2014-09-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pfit is a structurally novel Crohn's disease-associated superantigen.
Plos Pathog., 9, 2013
1A2Y
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BU of 1a2y by Molmil
HEN EGG WHITE LYSOZYME, D18A MUTANT, IN COMPLEX WITH MOUSE MONOCLONAL ANTIBODY D1.3
Descriptor: IGG1-KAPPA D1.3 FV (HEAVY CHAIN), IGG1-KAPPA D1.3 FV (LIGHT CHAIN), LYSOZYME, ...
Authors:Tsuchiya, D, Mariuzza, R.A.
Deposit date:1998-01-13
Release date:1998-04-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A mutational analysis of binding interactions in an antigen-antibody protein-protein complex.
Biochemistry, 37, 1998
6IGB
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BU of 6igb by Molmil
the structure of Pseudomonas aeruginosa Periplasmic gluconolactonase, PpgL
Descriptor: ACETATE ION, Periplasmic gluconolactonase, PpgL, ...
Authors:Song, Y.J, Shen, Y.L, Wang, K.L, Li, T, Zhu, Y.B, Li, C.C, He, L.H, Zhao, N.L, Zhao, C, Yang, J, Huang, Q, Mu, X.Y.
Deposit date:2018-09-25
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Structural and Functional Insights into PpgL, a Metal-Independent beta-Propeller Gluconolactonase That Contributes toPseudomonas aeruginosaVirulence.
Infect.Immun., 87, 2019
5CUQ
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BU of 5cuq by Molmil
Identification and characterization of novel broad spectrum inhibitors of the flavivirus methyltransferase
Descriptor: N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA, Nonstructural protein NS5
Authors:Brecher, B, Chen, H, Li, Z, Banavali, N.K, Jones, S.A, Zhang, J, Kramer, L.D, Li, H.M.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Identification and Characterization of Novel Broad-Spectrum Inhibitors of the Flavivirus Methyltransferase.
Acs Infect Dis., 1, 2015

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PDB entries from 2024-06-26

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