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8K2B
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BU of 8k2b by Molmil
Cryo-EM structure of the human 39S mitoribosome with Tigecycline
Descriptor: 16s rRNA, 39S ribosomal protein L22, mitochondrial, ...
Authors:Li, X, Wang, M, Cheng, J.
Deposit date:2023-07-12
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
8K82
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BU of 8k82 by Molmil
Cryo-EM structure of the yeast 80S ribosome with tigecycline, Not5 and P-site tRNA
Descriptor: 18S rRNA, 23S rRNA, 40S ribosomal protein S1-A, ...
Authors:Buschauer, R, Beckmann, R, Cheng, J.
Deposit date:2023-07-28
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for differential inhibition of eukaryotic ribosomes by tigecycline.
Nat Commun, 15, 2024
3TY0
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BU of 3ty0 by Molmil
Structure of PPARgamma ligand binding domain in complex with (R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione
Descriptor: (5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Soisson, S.M, Meinke, P.M, McKeever, B, Liu, W.
Deposit date:2011-09-23
Release date:2011-11-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor gamma (PPAR-gamma) modulators.
J.Med.Chem., 54, 2011
5H6I
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BU of 5h6i by Molmil
Crystal Structure of GBS CAMP Factor
Descriptor: CHLORIDE ION, Protein B, SULFATE ION
Authors:Jin, T.C, Brefo-Mensah, E.K.
Deposit date:2016-11-13
Release date:2017-11-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of theStreptococcus agalactiaeCAMP factor provides insights into its membrane-permeabilizing activity.
J.Biol.Chem., 293, 2018
4MC5
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BU of 4mc5 by Molmil
Crystal structure of a subtype H18 hemagglutinin homologue from A/flat-faced bat/Peru/033/2010 (H18N11)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Stevens, J.
Deposit date:2013-08-21
Release date:2013-10-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013
3N3K
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BU of 3n3k by Molmil
The catalytic domain of USP8 in complex with a USP8 specific inhibitor
Descriptor: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2010-05-20
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
5H5N
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BU of 5h5n by Molmil
The crystal structure of the NS1 (H17N10) RNA-binding domain
Descriptor: Non-structural protein 1
Authors:Zhao, X, Qi, J, Xiao, H, Gao, G.F.
Deposit date:2016-11-08
Release date:2016-11-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The NS1 gene from bat-derived influenza-like virus H17N10 can be rescued in influenza A PR8 backbone
J.Gen.Virol., 97, 2016
1B18
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BU of 1b18 by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 5.53 COORDINATES)
Descriptor: PROTEIN (INSULIN a chain), PROTEIN (INSULIN b chain), SULFATE ION
Authors:Diao, J.S, Caspar, D.L.D.
Deposit date:1998-11-26
Release date:2003-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003
1B2A
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BU of 1b2a by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 6.00 COORDINATES)
Descriptor: PROTEIN (INSULIN A CHAIN), PROTEIN (INSULIN B CHAIN), SULFATE ION
Authors:Diao, J.S, Caspar, D.L.D.
Deposit date:1998-11-26
Release date:2003-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003
6K2Y
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BU of 6k2y by Molmil
Human Galectin-14
Descriptor: Placental protein 13-like
Authors:Su, J.
Deposit date:2019-05-15
Release date:2020-06-17
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure-function studies of galectin-14, an important effector molecule in embryology.
Febs J., 288, 2021
4K3X
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BU of 4k3x by Molmil
Crystal structure of a subtype H18 hemagglutinin homologue from A/flat-faced bat/Peru/033/2010 (H18N11)
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-04-11
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013
3UD5
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BU of 3ud5 by Molmil
Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1A
Descriptor: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
Authors:Shaw, G, Shi, G, Ji, X.
Deposit date:2011-10-27
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
4NK4
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BU of 4nk4 by Molmil
Crystal structure of FabI from Candidatus Liberibacter asiaticus
Descriptor: DI(HYDROXYETHYL)ETHER, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Jiang, L, Gao, Z.Q, Dong, Y.H.
Deposit date:2013-11-12
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures and kinetic properties of enoyl-acyl carrier protein reductase I from Candidatus Liberibacter asiaticus.
Protein Sci., 23, 2014
4NK5
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BU of 4nk5 by Molmil
Crystal structure of FabI-NAD complex from Candidatus Liberibacter asiaticus
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Jiang, L, Gao, Z.Q, Dong, Y.H.
Deposit date:2013-11-12
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures and kinetic properties of enoyl-acyl carrier protein reductase I from Candidatus Liberibacter asiaticus.
Protein Sci., 23, 2014
3UDV
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BU of 3udv by Molmil
Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1C
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION
Authors:Shaw, G, Shi, G, Ji, X.
Deposit date:2011-10-28
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
4K3Y
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BU of 4k3y by Molmil
Crystal structure of a subtype N11 neuraminidase-like protein of A/flat-faced bat/Peru/033/2010 (H18N11)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-04-11
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.682 Å)
Cite:New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013
3UDE
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BU of 3ude by Molmil
Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1B
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine, ACETATE ION
Authors:Shaw, G, Shi, G, Ji, X.
Deposit date:2011-10-28
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
6IW2
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BU of 6iw2 by Molmil
Crystal structure of 5A ScFv in complex with YFV-17D sE in prefusion state
Descriptor: Envelope protein E, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
3EOT
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BU of 3eot by Molmil
Crystal structure of LAC031, an engineered anti-VLA1 Fab
Descriptor: FAB FRAGMENT, HEAVY CHAIN, LIGHT CHAIN
Authors:Boriack-Sjodin, P.A, Clark, L.A.
Deposit date:2008-09-29
Release date:2009-01-20
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An antibody loop replacement design feasibility study and a loop-swapped dimer structure.
Protein Eng.Des.Sel., 22, 2009
6IW4
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BU of 6iw4 by Molmil
Crystal structure of YFV-17D sE in prefusion state
Descriptor: Envelope protein E
Authors:Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
Deposit date:2018-12-04
Release date:2019-02-13
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6UWU
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BU of 6uwu by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516
Descriptor: 1,2-ETHANEDIOL, 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one, Bromodomain-containing protein 4
Authors:Leonard, P.G, Joseph, S.
Deposit date:2019-11-05
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
J.Med.Chem., 63, 2020
8JJB
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BU of 8jjb by Molmil
Crystal structure of T2R-TTL-Y61 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Yang, J.
Deposit date:2023-05-30
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents.
Eur.J.Med.Chem., 268, 2024
8JJC
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BU of 8jjc by Molmil
Tubulin-Y62
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine, CALCIUM ION, ...
Authors:Yang, J.
Deposit date:2023-05-30
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents.
Eur.J.Med.Chem., 268, 2024
3FUR
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BU of 3fur by Molmil
Crystal Structure of PPARg in complex with INT131
Descriptor: 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ...
Authors:Wang, Z, Liu, J, Walker, N.
Deposit date:2009-01-14
Release date:2009-06-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:INT131: a selective modulator of PPAR gamma.
J.Mol.Biol., 386, 2009
3DI6
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BU of 3di6 by Molmil
HIV-1 RT with pyridazinone non-nucleoside inhibitor
Descriptor: 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Harris, S.F, Villasenor, A, Dunten, P.
Deposit date:2008-06-19
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 18, 2008

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