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4TVZ
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BU of 4tvz by Molmil
Crystal Structure of SCARB2 in Neural Condition (pH7.5)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Scavenger receptor class B member 2, ...
Authors:Dang, M.H, Wang, X.X, Rao, Z.H.
Deposit date:2014-06-29
Release date:2015-07-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.006 Å)
Cite:Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71
Protein Cell, 5, 2014
3TJD
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BU of 3tjd by Molmil
co-crystal structure of Jak2 with thienopyridine 19
Descriptor: 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
Authors:Huang, X.
Deposit date:2011-08-24
Release date:2011-11-30
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
3H0Z
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BU of 3h0z by Molmil
Aurora A in complex with a bisanilinopyrimidine
Descriptor: 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide, Serine/threonine-protein kinase 6
Authors:Wiesmann, C, Ultsch, M.H, Cochran, A.G.
Deposit date:2009-04-10
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
3H10
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BU of 3h10 by Molmil
Aurora A inhibitor complex
Descriptor: 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine, Serine/threonine-protein kinase 6
Authors:Wiesmann, C, Ultsch, M.H, Cochran, A.G.
Deposit date:2009-04-10
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
3H0Y
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BU of 3h0y by Molmil
Aurora A in complex with a bisanilinopyrimidine
Descriptor: 2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide, SULFATE ION, Serine/threonine-protein kinase 6
Authors:Wiesmann, C, Ultsch, M.H, Cochran, A.G.
Deposit date:2009-04-10
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J.Med.Chem., 52, 2009
7Y6D
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BU of 7y6d by Molmil
Cryo-EM structure of SARS-CoV-2 Delta variant spike proteins on intact virions: 3 Closed RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Xu, J, Song, Y, Li, S.
Deposit date:2022-06-20
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (4.39 Å)
Cite:In situ architecture and membrane fusion of SARS-CoV-2 Delta variant.
Proc.Natl.Acad.Sci.USA, 120, 2023
3PL9
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BU of 3pl9 by Molmil
Crystal structure of spinach minor light-harvesting complex CP29 at 2.80 angstrom resolution
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Pan, X.W, Li, M, Wan, T, Wang, L.F, Jia, C.J, Hou, Z.Q, Zhao, X.L, Zhang, J.P, Chang, W.R.
Deposit date:2010-11-14
Release date:2011-02-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into energy regulation of light-harvesting complex CP29 from spinach.
Nat.Struct.Mol.Biol., 18, 2011
8GYB
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BU of 8gyb by Molmil
Crystal structure of Alongshan virus methyltransferase bound to S-adenosyl-L-homocysteine
Descriptor: Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Chen, H, Lin, S, Lu, G.W.
Deposit date:2022-09-22
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
8GYA
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BU of 8gya by Molmil
Crystal structure of Alongshan virus methyltransferase bound to Sinefungin
Descriptor: Methyltransferase, SINEFUNGIN
Authors:Chen, H, Lin, S, Lu, G.W.
Deposit date:2022-09-21
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
8GY4
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BU of 8gy4 by Molmil
Crystal structure of Alongshan virus methyltransferase
Descriptor: Methyltransferase
Authors:Chen, H, Lin, S, Lu, G.W.
Deposit date:2022-09-21
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
8GY9
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BU of 8gy9 by Molmil
Crystal structure of Alongshan virus methyltransferase bound to S-adenosyl-L-methionine
Descriptor: Methyltransferase, S-ADENOSYLMETHIONINE
Authors:Chen, H, Lin, S, Lu, G.W.
Deposit date:2022-09-21
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
6U25
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BU of 6u25 by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST
Descriptor: GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
Authors:Sack, J.
Deposit date:2019-08-19
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.
J.Med.Chem., 62, 2019
6L10
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BU of 6l10 by Molmil
PHF20L1 Tudor1 - MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PHD finger protein 20-like protein 1, SULFATE ION
Authors:Lv, M.Q, Gao, J.
Deposit date:2019-09-27
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
5ZVV
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BU of 5zvv by Molmil
Structure of SeMet-phAimR
Descriptor: AimR transcriptional regulator, GLYCEROL
Authors:Cheng, W, Dou, C.
Deposit date:2018-05-13
Release date:2018-09-05
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
4WWP
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BU of 4wwp by Molmil
Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine
Descriptor: GLYCEROL, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, ...
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2014-11-11
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
7V63
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BU of 7v63 by Molmil
Structure of dimeric uPAR at low pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor
Authors:Yuan, C, Huang, M.
Deposit date:2021-08-19
Release date:2021-12-22
Last modified:2022-04-06
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:Crystal structure and cellular functions of uPAR dimer
Nat Commun, 13, 2022
6LIX
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BU of 6lix by Molmil
CRL Protein of Arabidopsis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chromophore lyase CRL, chloroplastic
Authors:Wang, F.F, Guan, K.L, Sun, P.K, Xing, W.M.
Deposit date:2019-12-13
Release date:2020-09-16
Last modified:2020-12-02
Method:X-RAY DIFFRACTION (2.385 Å)
Cite:The Arabidopsis CRUMPLED LEAF protein, a homolog of the cyanobacterial bilin lyase, retains the bilin-binding pocket for a yet unknown function.
Plant J., 104, 2020
3V7T
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BU of 3v7t by Molmil
Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold
Descriptor: CARBONATE ION, TPSB2 protein, {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone
Authors:Zhang, Y, Colonna, C, Michot, N.
Deposit date:2011-12-22
Release date:2012-03-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity
Bioorg.Med.Chem.Lett., 22, 2012
5ZW6
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BU of 5zw6 by Molmil
Structure of spAimR
Descriptor: AimR transcriptional regulator, GLY-MET-PRO-ARG-GLY-ALA
Authors:Cheng, W, Dou, C.
Deposit date:2018-05-14
Release date:2018-09-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
5XIW
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BU of 5xiw by Molmil
Crystal structure of T2R-TTL-Colchicine complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-04-27
Release date:2018-04-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
6L1F
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BU of 6l1f by Molmil
Crystal structure of PHF20L1 Tudor1 in complex with K142me1 DNMT1
Descriptor: PHD finger protein 20-like protein 1, the K142me1 DNMT1 peptide
Authors:Lv, M.Q, Gao, J.
Deposit date:2019-09-29
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
5ZW5
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BU of 5zw5 by Molmil
Structure of SeMet-spAimR
Descriptor: AimR transcriptional regulator
Authors:Cheng, W, Dou, C.
Deposit date:2018-05-14
Release date:2018-08-29
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
6LIY
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BU of 6liy by Molmil
SeMet CRL Protein of Arabidopsis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Chromophore lyase CRL, chloroplastic
Authors:Wang, F.F, Guan, K.L, Sun, P.K, Xing, W.M.
Deposit date:2019-12-13
Release date:2020-09-16
Last modified:2020-12-02
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:The Arabidopsis CRUMPLED LEAF protein, a homolog of the cyanobacterial bilin lyase, retains the bilin-binding pocket for a yet unknown function.
Plant J., 104, 2020
8H69
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BU of 8h69 by Molmil
Cryo-EM structure of influenza RNA polymerase
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*UP*AP*AP*AP*CP*UP*CP*CP*UP*GP*CP*UP*UP*UP*UP*GP*CP*U)-3'), ...
Authors:Li, H, Wu, Y, Liang, H, Liu, Y.
Deposit date:2022-10-16
Release date:2023-06-28
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:An intermediate state allows influenza polymerase to switch smoothly between transcription and replication cycles.
Nat.Struct.Mol.Biol., 30, 2023
5ZVW
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BU of 5zvw by Molmil
Structure of phAimR-Ligand
Descriptor: AimR transcriptional regulator, SER-ALA-ILE-ARG-GLY-ALA
Authors:Cheng, W, Dou, C.
Deposit date:2018-05-13
Release date:2018-09-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018

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