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7EOT
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BU of 7eot by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the CGP-78608/glutamate bound state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 1, ...
Authors:Wang, H, Zhu, S.
Deposit date:2021-04-22
Release date:2021-06-30
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors.
Neuron, 109, 2021
7EOS
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BU of 7eos by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate bound state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 1, ...
Authors:Wang, H, Zhu, S.
Deposit date:2021-04-22
Release date:2021-06-30
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors.
Neuron, 109, 2021
7EOR
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BU of 7eor by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate/GNE-6901 bound state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, Glutamate receptor ionotropic, ...
Authors:Wang, H, Zhu, S.
Deposit date:2021-04-22
Release date:2021-06-30
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors.
Neuron, 109, 2021
3VEV
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BU of 3vev by Molmil
Glucokinase in complex with an activator and glucose
Descriptor: (2S)-3-cyclopentyl-N-(5-methylpyridin-2-yl)-2-[2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]propanamide, Glucokinase, SODIUM ION, ...
Authors:Liu, S.
Deposit date:2012-01-09
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
6GJ7
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BU of 6gj7 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22
Descriptor: (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Kessler, D, Mcconnell, D.M, Mantoulidis, A.
Deposit date:2018-05-16
Release date:2019-07-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
7KOV
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BU of 7kov by Molmil
Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with thiocyanate
Descriptor: CHLORIDE ION, Cysteine dioxygenase type I protein, FE (III) ION, ...
Authors:Kiser, P.D.
Deposit date:2020-11-10
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center.
J.Biol.Chem., 296, 2021
7FBD
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BU of 7fbd by Molmil
De novo design protein D53 with MBP tag
Descriptor: Maltodextrin-binding protein,De novo design protein D53
Authors:Bin, H.
Deposit date:2021-07-09
Release date:2021-12-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7FBC
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BU of 7fbc by Molmil
De novo design protein D22 with MBP tag
Descriptor: Maltodextrin-binding protein,De novo design protein D22
Authors:Bin, H.
Deposit date:2021-07-09
Release date:2021-12-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7FBB
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BU of 7fbb by Molmil
De novo design protein D12 with MBP tag
Descriptor: Maltodextrin-binding protein,de novo designed protein D12
Authors:Bin, H.
Deposit date:2021-07-09
Release date:2021-12-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
4LY9
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BU of 4ly9 by Molmil
Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol] and sorbitol-6-phosphate
Descriptor: (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R.
Deposit date:2013-07-30
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors.
Nature, 504, 2013
7F7E
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BU of 7f7e by Molmil
SARS-CoV-2 S protein RBD in complex with A5-10 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A5-10 Fab, Light chain of A5-10 Fab, ...
Authors:Dou, Y, Wang, X, Wang, K, Liu, P, Lu, B.
Deposit date:2021-06-29
Release date:2022-02-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Etesevimab in combination with JS026 neutralizing SARS-CoV-2 and its variants.
Emerg Microbes Infect, 11, 2022
3VEY
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BU of 3vey by Molmil
glucokinase in complex with glucose and ATPgS
Descriptor: 6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine, Glucokinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Liu, S.
Deposit date:2012-01-09
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
8TBP
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BU of 8tbp by Molmil
HLA-DRB1*15:01 in complex with smith antigen
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Ting, Y.T, Broury, A, Ooi, J.
Deposit date:2023-06-29
Release date:2024-02-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.12621117 Å)
Cite:Smith-specific regulatory T cells halt the progression of lupus nephritis.
Nat Commun, 15, 2024
7WHZ
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BU of 7whz by Molmil
SARS-CoV-2 spike protein in complex with three human neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ...
Authors:Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S.
Deposit date:2022-01-01
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron.
Cell Rep, 39, 2022
3IEW
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BU of 3iew by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with bound CTP and CDP
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-DIPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Staker, B.L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-07-23
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3IKE
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BU of 3ike by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 6-AMINOPYRIMIDIN-2(1H)-ONE, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-08-05
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
5F13
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BU of 5f13 by Molmil
Structure of Mn bound DUF89 from Saccharomyces cerevisiae
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Nocek, B, Skarina, T, Joachimiak, A, Savchenko, A, Yakunin, A.
Deposit date:2015-11-30
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:A family of metal-dependent phosphatases implicated in metabolite damage-control.
Nat.Chem.Biol., 12, 2016
5BUG
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BU of 5bug by Molmil
Crystal structure of human phosphatase PTEN oxidized by H2O2
Descriptor: L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
Authors:Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N.
Deposit date:2015-06-03
Release date:2015-10-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
7T4W
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BU of 7t4w by Molmil
Crystal Structure of cGMP-dependent Protein Kinase
Descriptor: (2R)-2-({(2S,3S)-1-[(1H-benzimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl}oxy)-2-(3,5-dichlorophenyl)ethan-1-ol, CHLORIDE ION, cGMP-dependent protein kinase 1
Authors:Zebisch, M, Silvestre, L, Fischmann, T.O.
Deposit date:2021-12-10
Release date:2023-06-14
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Selective small molecule activation of PKG1alpha: structure and function
Commun Biol, 2023
7T4V
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BU of 7t4v by Molmil
Crystal Structure of cGMP-dependent Protein Kinase
Descriptor: 4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-methylbenzoic acid, CHLORIDE ION, cGMP-dependent protein kinase 1
Authors:Zebisch, M, Silvestre, L, Fischmann, T.O.
Deposit date:2021-12-10
Release date:2023-06-14
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Selective small molecule activation of PKG1alpha: structure and function
Commun Biol, 2023
7T4U
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BU of 7t4u by Molmil
Crystal Structure of cGMP-dependent Protein Kinase
Descriptor: 3-amino-4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)benzoic acid, cGMP-dependent protein kinase 1
Authors:Zebisch, M, Silvestre, L, Fischmann, T.O.
Deposit date:2021-12-10
Release date:2023-06-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Selective small molecule activation of PKG1alpha: structure and function
Commun Biol, 2023
7T4T
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BU of 7t4t by Molmil
Crystal Structure of cGMP-dependent Protein Kinase
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Zebisch, M, Silvestre, L, Fischmann, T.O.
Deposit date:2021-12-10
Release date:2023-06-14
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Selective small molecule activation of PKG1alpha: structure and function
Commun Biol, 2023
7FAW
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BU of 7faw by Molmil
Structure of LW domain from Yeast
Descriptor: Transcription elongation factor S-II
Authors:Liao, S, Gao, J, Tu, X.
Deposit date:2021-07-07
Release date:2022-07-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.438 Å)
Cite:Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
7XGR
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BU of 7xgr by Molmil
Structure of Gemin5 C-terminal region (protomer)
Descriptor: Gem-associated protein 5
Authors:Guo, Q, Zhao, S, Zhang, K, Xu, C.
Deposit date:2022-04-06
Release date:2022-08-24
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for Gemin5 decamer-mediated mRNA binding.
Nat Commun, 13, 2022
7XDT
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BU of 7xdt by Molmil
Structural basis for Gemin5 decamer-mediated mRNA binding
Descriptor: Gem-associated protein 5
Authors:Guo, Q, Zhao, S, Zhang, K, Xu, C.
Deposit date:2022-03-28
Release date:2022-08-24
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structural basis for Gemin5 decamer-mediated mRNA binding.
Nat Commun, 13, 2022

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PDB entries from 2024-10-16

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