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PDB: 42254 results

6XDM
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BU of 6xdm by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ARYL KETONE INHIBITOR
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
Authors:Klein, D.J, Liu, J.
Deposit date:2020-06-11
Release date:2020-07-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Selective Class I HDAC Inhibitors Based on Aryl Ketone Zinc Binding Induce HIV-1 Protein for Clearance.
Acs Med.Chem.Lett., 11, 2020
7TAE
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BU of 7tae by Molmil
Crystal Structure of the NPR1-Interacting Domain of TGA3
Descriptor: GLYCEROL, PALMITIC ACID, Transcription factor TGA3
Authors:Cheng, J, Zhou, P.
Deposit date:2021-12-20
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
6Y9V
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BU of 6y9v by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-8,13)
Descriptor: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
Authors:Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
Deposit date:2020-03-10
Release date:2020-08-19
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
4XNR
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BU of 4xnr by Molmil
Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized by Position-selective Labeling of RNA (PLOR), in Complex with Adenine
Descriptor: ADENINE, MAGNESIUM ION, Vibrio Vulnificus Adenine Riboswitch
Authors:Zhang, J, Liu, Y, Wang, Y.-X, Ferre-D'Amare, A.R.
Deposit date:2015-01-16
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Synthesis and applications of RNAs with position-selective labelling and mosaic composition.
Nature, 522, 2015
6Y9Y
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BU of 6y9y by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-7,13)
Descriptor: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
Authors:Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
Deposit date:2020-03-10
Release date:2020-08-19
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6YIO
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BU of 6yio by Molmil
CRYSTAL STRUCTURE OF FAB RG6292 IN COMPLEX WITH CD25 ECD
Descriptor: FAB FRAGMENT HEAVY CHAIN, FAB FRGAMENT LIGHT CHAIN, Interleukin-2 receptor subunit alpha
Authors:Benz, J, Koll, H, Leibrock, L.
Deposit date:2020-04-01
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:CD25-T reg -depleting antibodies preserving IL-2 signaling on effector T cells enhance effector activation and antitumor immunity.
Nat Cancer, 1, 2020
6Y9W
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BU of 6y9w by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,8)
Descriptor: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
Authors:Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
Deposit date:2020-03-10
Release date:2020-08-19
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
5MXB
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BU of 5mxb by Molmil
Crystal structure of yellow lupin LLPR-10.2B protein in complex with melatonin
Descriptor: Class 10 plant pathogenesis-related protein, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, SODIUM ION, ...
Authors:Sliwiak, J, Sikorski, M, Jaskolski, M.
Deposit date:2017-01-22
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine.
FEBS J., 285, 2018
5MXW
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Crystal structure of yellow lupin LLPR-10.2B protein in complex with melatonin and trans-zeatin.
Descriptor: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, Class 10 plant pathogenesis-related protein, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ...
Authors:Sliwiak, J, Sikorski, M, Jaskolski, M.
Deposit date:2017-01-25
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine.
FEBS J., 285, 2018
7OFT
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BU of 7oft by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde
Descriptor: CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ...
Authors:Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7B85
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BU of 7b85 by Molmil
Crystal Structure of EGFR-WT in Complex with TAK-788
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2020-12-12
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors.
J.Med.Chem., 65, 2022
8WA2
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BU of 8wa2 by Molmil
cryo-EM structure of native mastigonemes isolated from Chlamydomonas reinhardtii at 3.0 angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Huang, J, Tao, H, Chen, J, Pan, J, Yan, C, Yan, N.
Deposit date:2023-09-06
Release date:2024-04-10
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-guided discovery of protein and glycan components in native mastigonemes.
Cell, 187, 2024
2ZNM
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BU of 2znm by Molmil
Oxidoreductase NmDsbA3 from Neisseria meningitidis
Descriptor: Thiol:disulfide interchange protein DsbA
Authors:Vivian, J.P, Scoullar, J, Robertson, A.L, Bottomley, S.P, Horne, J, Chin, Y, Velkov, T, Wielens, J, Thompson, P.E, Piek, S, Byres, E, Beddoe, T, Wilce, M.C.J, Kahler, C, Rossjohn, J, Scanlon, M.J.
Deposit date:2008-04-30
Release date:2008-08-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Biochemical Characterization of the Oxidoreductase NmDsbA3 from Neisseria meningitidis
J.Biol.Chem., 283, 2008
4Y1A
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BU of 4y1a by Molmil
immune complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS17_alpha, FS17_beta, ...
Authors:Beringer, D.X, Vivian, J.P, Reid, H.H, Rossjohn, J.
Deposit date:2015-02-07
Release date:2015-09-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4 Å)
Cite:T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex.
Nat.Immunol., 16, 2015
4Y5U
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BU of 4y5u by Molmil
Transcription factor
Descriptor: NICKEL (II) ION, Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-02-12
Release date:2016-02-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
4Y5W
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BU of 4y5w by Molmil
Transcription factor-DNA complex
Descriptor: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*GP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*CP*TP*TP*CP*CP*TP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-02-12
Release date:2016-02-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
6YQ4
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BU of 6yq4 by Molmil
Crystal structure of Fusobacterium nucleatum tannase
Descriptor: GLYCEROL, MAGNESIUM ION, SPERMIDINE, ...
Authors:Mancheno, J.M, Anguita, J, Rodriguez, H.
Deposit date:2020-04-16
Release date:2021-03-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:A structurally unique Fusobacterium nucleatum tannase provides detoxicant activity against gallotannins and pathogen resistance.
Microb Biotechnol, 15, 2022
6ZW9
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BU of 6zw9 by Molmil
[4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz) soaked with 4-thiouracil (S-SAD data)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DUF523 domain-containing protein, ...
Authors:Pecqueur, L, Zhou, J, Fontecave, M, Golinelli-Pimpaneau, B.
Deposit date:2020-07-28
Release date:2020-09-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil.
Angew.Chem.Int.Ed.Engl., 60, 2021
6Y4M
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BU of 6y4m by Molmil
Structure of Tubulin Tyrosine Ligase in Complex with Tb111
Descriptor: (2~{R})-1-methylpiperidine-2-carboxylic acid, (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V.
Deposit date:2020-02-21
Release date:2021-03-31
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis.
J.Org.Chem., 86, 2021
6Y4N
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BU of 6y4n by Molmil
Structure of Tubulin Tyrosine Ligase in Complex with Tb116
Descriptor: (2~{R})-1-methylpiperidine-2-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V.
Deposit date:2020-02-21
Release date:2021-03-31
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.852 Å)
Cite:Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis.
J.Org.Chem., 86, 2021
6NAO
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BU of 6nao by Molmil
Discovery of a high affinity inhibitor of cGAS
Descriptor: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION
Authors:Hall, J.
Deposit date:2018-12-06
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
5GZO
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BU of 5gzo by Molmil
Structure of neutralizing antibody bound to Zika envelope protein
Descriptor: Antibody heavy chain, Antibody light chain, Genome polyprotein
Authors:Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F.
Deposit date:2016-09-29
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.755 Å)
Cite:Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
7OC7
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BU of 7oc7 by Molmil
LasB, alpha-alkyl-N-aryl mercaptoacetamide
Descriptor: (2R)-N,3-diphenyl-2-sulfanyl-propanamide, CALCIUM ION, Neutral metalloproteinase, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2021-04-26
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substrate-Inspired Fragment Merging and Growing Affords Efficacious LasB Inhibitors.
Angew.Chem.Int.Ed.Engl., 61, 2022
7OGT
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BU of 7ogt by Molmil
Folded elbow of cohesin
Descriptor: Structural maintenance of chromosomes protein 1, Structural maintenance of chromosomes protein 3
Authors:Lee, B.-G, Gonzalez Llamazares, A, Collier, J, Patele, N.J, Nasmyth, K.A, Lowe, J.
Deposit date:2021-05-07
Release date:2021-07-28
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Folding of cohesin's coiled coil is important for Scc2/4-induced association with chromosomes.
Elife, 10, 2021
8CDQ
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Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 and Mg.ATP-gamma-S
Descriptor: 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, GLYCEROL, ...
Authors:Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Schaletzky, J, Wehri, E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A.
Deposit date:2023-01-31
Release date:2023-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023

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