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7TX7
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BU of 7tx7 by Molmil
Cryo-EM structure of the human reduced folate carrier
Descriptor: Digitonin, Reduced folate transporter,Soluble cytochrome b562
Authors:Wright, N.J, Fedor, J.G, Lee, S.-Y.
Deposit date:2022-02-07
Release date:2022-09-21
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Methotrexate recognition by the human reduced folate carrier SLC19A1.
Nature, 609, 2022
7U2X
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BU of 7u2x by Molmil
Cryo-EM structure of the pancreatic ATP-sensitive potassium channel in the presence of carbamazepine and ATP with Kir6.2-CTD in the down conformation
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Shyng, S.L, Sung, M.W, Driggers, C.M.
Deposit date:2022-02-25
Release date:2022-08-31
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
J.Mol.Biol., 434, 2022
7AVB
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BU of 7avb by Molmil
Solution structure of the fluorogen-activating protein FAST in the apo state
Descriptor: FAST
Authors:Mineev, K.S, Goncharuk, S.A, Baranov, M.S.
Deposit date:2020-11-05
Release date:2021-04-28
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:NanoFAST: structure-based design of a small fluorogen-activating protein with only 98 amino acids.
Chem Sci, 12, 2021
7AVA
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BU of 7ava by Molmil
Solution structure of the fluorogen-activating protein FAST in complex with the ligand N871b
Descriptor: (5~{Z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{E})-2-pyridin-4-ylethenyl]imidazol-4-one, FAST
Authors:Mineev, K.S, Goncharuk, S.A, Baranov, M.S.
Deposit date:2020-11-05
Release date:2021-04-28
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:NanoFAST: structure-based design of a small fluorogen-activating protein with only 98 amino acids.
Chem Sci, 12, 2021
7TX6
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BU of 7tx6 by Molmil
Cryo-EM structure of the human reduced folate carrier in complex with methotrexate
Descriptor: Digitonin, METHOTREXATE, Reduced folate transporter,Soluble cytochrome b562
Authors:Wright, N.J, Fedor, J.G, Lee, S.-Y.
Deposit date:2022-02-07
Release date:2022-09-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Methotrexate recognition by the human reduced folate carrier SLC19A1.
Nature, 609, 2022
6WEO
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BU of 6weo by Molmil
IL-22 Signaling Complex with IL-22R1 and IL-10Rbeta
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Saxton, R.A, Jude, K.M, Henneberg, L.T, Garcia, K.C.
Deposit date:2020-04-02
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The tissue protective functions of interleukin-22 can be decoupled from pro-inflammatory actions through structure-based design.
Immunity, 54, 2021
6QUL
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BU of 6qul by Molmil
Structure of a bacterial 50S ribosomal subunit in complex with the novel quinoxolidinone antibiotic cadazolid
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Scaiola, A, Leibundgut, M, Boehringer, D, Ritz, D.
Deposit date:2019-02-27
Release date:2019-04-10
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of translation inhibition by cadazolid, a novel quinoxolidinone antibiotic.
Sci Rep, 9, 2019
4BBQ
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BU of 4bbq by Molmil
Crystal structure of the CXXC and PHD domain of Human Lysine-specific Demethylase 2A (KDM2A)(FBXL11)
Descriptor: 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 2A, ZINC ION
Authors:Allerston, C.K, Watson, A.A, Edlich, C, Li, B, Chen, Y, Ball, L, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Laue, E.D, Gileadi, O.
Deposit date:2012-09-27
Release date:2012-10-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal Structure of the Cxxc and Phd Domain of Human Lysine-Specific Demethylase 2A (Kdm2A)(Fbxl11)
To be Published
4TPJ
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BU of 4tpj by Molmil
Selectivity mechanism of a bacterial homologue of the human drug peptide transporters PepT1 and PepT2
Descriptor: ALA-ALA-ALA, DODECYL-BETA-D-MALTOSIDE, Proton:oligopeptide symporter POT family, ...
Authors:Guettou, F, Quistgaard, E, Raba, M, Moberg, P, Low, C, Nordlund, P.
Deposit date:2014-06-07
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Selectivity mechanism of a bacterial homolog of the human drug-peptide transporters PepT1 and PepT2.
Nat.Struct.Mol.Biol., 21, 2014
5LXR
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BU of 5lxr by Molmil
Structure of the minimal RBM7 - ZCCHC8 Complex
Descriptor: BROMIDE ION, CHLORIDE ION, RNA-binding protein 7, ...
Authors:Falk, S, Finogenova, K, Benda, C, Conti, E.
Deposit date:2016-09-22
Release date:2016-12-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the RBM7-ZCCHC8 core of the NEXT complex reveals connections to splicing factors.
Nat Commun, 7, 2016
5LXY
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BU of 5lxy by Molmil
Structure of the minimal RBM7 - ZCCHC8 Complex
Descriptor: BROMIDE ION, RNA-binding protein 7, Zinc finger CCHC domain-containing protein 8
Authors:Falk, S, Finogenova, K, Benda, C, Conti, E.
Deposit date:2016-09-23
Release date:2016-12-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of the RBM7-ZCCHC8 core of the NEXT complex reveals connections to splicing factors.
Nat Commun, 7, 2016
5LIX
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BU of 5lix by Molmil
Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK184
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A.
Deposit date:2016-07-15
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
7UGB
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BU of 7ugb by Molmil
Crystal structure of rat ERK2 complexed with docking peptide from ISG20
Descriptor: Interferon-stimulated gene 20 kDa protein, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Torres Robles, J, Stiegler, A.L, Boggon, T.J, Turk, B.E.
Deposit date:2022-03-24
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:To be determined
To Be Published
7XMX
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BU of 7xmx by Molmil
Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three F61 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F61 heavy chain, F61 light chain, ...
Authors:Wang, X, Li, X.
Deposit date:2022-04-27
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
7XMZ
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BU of 7xmz by Molmil
Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three D2 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ...
Authors:Wang, X, Li, X.
Deposit date:2022-04-27
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
6R2E
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BU of 6r2e by Molmil
Crystal structure of the human thymidylate synthase (hTS) interface variant Q62R
Descriptor: CHLORIDE ION, GLYCEROL, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ...
Authors:Pozzi, C, Mangani, M.
Deposit date:2019-03-16
Release date:2019-04-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Evidence of Destabilization of the Human Thymidylate Synthase (hTS) Dimeric Structure Induced by the Interface Mutation Q62R.
Biomolecules, 9, 2019
4A64
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BU of 4a64 by Molmil
Crystal structure of the N-terminal domain of human Cul4B at 2.57A resolution
Descriptor: 1,2-ETHANEDIOL, CULLIN-4B
Authors:Vollmar, M, Ayinampudi, V, Cooper, C, Guo, K, Krojer, T, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Bullock, A.
Deposit date:2011-10-31
Release date:2012-02-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Crystal Structure of the N-Terminal Domain of Human Cul4B at 2.57A Resolution
To be Published
7XNK
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BU of 7xnk by Molmil
human KCNQ1-CaM in complex with ML277
Descriptor: (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide, Calmodulin-3, POTASSIUM ION, ...
Authors:Ma, D, Guo, J.
Deposit date:2022-04-29
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XNL
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BU of 7xnl by Molmil
human KCNQ1-CaM-ML277-PIP2 complex in state A
Descriptor: (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide, Calmodulin-3, POTASSIUM ION, ...
Authors:Ma, D, Guo, J.
Deposit date:2022-04-29
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XNI
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BU of 7xni by Molmil
human KCNQ1-CaM in apo state
Descriptor: Calmodulin-3, Potassium voltage-gated channel subfamily KQT member 1
Authors:Ma, D, Guo, J.
Deposit date:2022-04-28
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XNN
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BU of 7xnn by Molmil
human KCNQ1-CaM-ML277-PIP2 complex in state B
Descriptor: (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide, Calmodulin-3, POTASSIUM ION, ...
Authors:Ma, D, Guo, J.
Deposit date:2022-04-29
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural mechanisms for the activation of human cardiac KCNQ1 channel by electro-mechanical coupling enhancers.
Proc.Natl.Acad.Sci.USA, 119, 2022
6XK0
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BU of 6xk0 by Molmil
Albumin-dexamethasone complex
Descriptor: Albumin, CITRATE ANION, DEXAMETHASONE, ...
Authors:Czub, M.P, Majorek, K.A, Shabalin, I.G, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2020-06-24
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy.
Iucrj, 7, 2020
7CE4
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BU of 7ce4 by Molmil
Tankyrase2 catalytic domain in complex with K-476
Descriptor: 5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile, Poly [ADP-ribose] polymerase tankyrase-2, SULFATE ION, ...
Authors:Takahashi, Y, Suzuki, M, Saito, J.
Deposit date:2020-06-22
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The dual pocket binding novel tankyrase inhibitor K-476 enhances the efficacy of immune checkpoint inhibitor by attracting CD8 + T cells to tumors.
Am J Cancer Res, 11, 2021
6R28
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BU of 6r28 by Molmil
Structure of peptide P7, which binds Cdc42 and inhibits effector interactions.
Descriptor: peptide P7
Authors:Murphy, N.P, Mott, H.R, Owen, D.
Deposit date:2019-03-15
Release date:2020-01-29
Last modified:2024-03-06
Method:SOLUTION NMR
Cite:The discovery and maturation of peptide biologics targeting the small G-protein Cdc42: A bioblockade for Ras-driven signaling.
J.Biol.Chem., 295, 2020
7X4H
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BU of 7x4h by Molmil
Crystal structure of CK2a1 complexed with AG1112
Descriptor: 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile, Casein Kinase 2 subunit alpha
Authors:Ikeda, A, Kinoshita, T, Tsuyuguchi, M.
Deposit date:2022-03-02
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Bivalent binding mode of an amino-pyrazole inhibitor indicates the potentials for CK2 alpha 1-selective inhibitors.
Biochem.Biophys.Res.Commun., 630, 2022

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