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5E2O
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BU of 5e2o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid
Descriptor: 1,2-ETHANEDIOL, 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid, Coagulation factor XIa light chain, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5E2P
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BU of 5e2p by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5Y83
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BU of 5y83 by Molmil
Crystal structure of YidC from Thermotoga maritima
Descriptor: Membrane protein insertase YidC
Authors:Huang, Y, Xin, Y.
Deposit date:2017-08-18
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.842 Å)
Cite:Structure of YidC from Thermotoga maritima and its implications for YidC-mediated membrane protein insertion
FASEB J., 32, 2018
5Y82
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BU of 5y82 by Molmil
Crystal structure of the periplasmic domain of the Thermotoga maritima YidC
Descriptor: Membrane protein insertase YidC
Authors:Huang, Y, Xin, Y.
Deposit date:2017-08-18
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.517 Å)
Cite:Structure of YidC from Thermotoga maritima and its implications for YidC-mediated membrane protein insertion
FASEB J., 32, 2018
7F0S
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BU of 7f0s by Molmil
A crystal structure of alphavirus nonstructural protein 4 (nsP4) reveals an intrinsically 1dynamic RNA-dependent RNA polymerase
Descriptor: RNA-directed RNA polymerase nsP4
Authors:Tan, Y.B, Luo, D.
Deposit date:2021-06-06
Release date:2022-02-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold.
Nucleic Acids Res., 50, 2022
7CZA
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BU of 7cza by Molmil
Hexachlorobenzene monooxygenase (HcbA1) from Nocardioides sp. strain PD653 complexed with FMN
Descriptor: FLAVIN MONONUCLEOTIDE, Hexachlorobenzene oxidative dehalogenase
Authors:Guo, Y, Zheng, J.T, Zhou, N.Y.
Deposit date:2020-09-07
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Hexachlorobenzene Monooxygenase Substrate Selectivity and Catalysis: Structural and Biochemical Insights.
Appl.Environ.Microbiol., 87, 2020
7DBW
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BU of 7dbw by Molmil
PnpA1, the oxygenase component of a two-component para-nitrophenol hydroxylase from Rhodococcus imtechensis RKJ300
Descriptor: 4-hydroxyphenylacetate 3-hydroxylase
Authors:Guo, Y, Zheng, J.T, Zhou, N.Y.
Deposit date:2020-10-22
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Single-Component and Two-Component para -Nitrophenol Monooxygenases: Structural Basis for Their Catalytic Difference.
Appl.Environ.Microbiol., 87, 2021
4I18
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BU of 4i18 by Molmil
Crystal structure of human prolactin receptor complexed with Fab fragment
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Duguid, E.M, Mukherjee, S, Kouadio, J.L.
Deposit date:2012-11-20
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.238 Å)
Cite:Engineering synthetic antibody binders for allosteric inhibition of prolactin receptor signaling.
Cell Commun Signal, 13, 2015
7ST4
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BU of 7st4 by Molmil
Calcium-saturated jGCaMP8.410.80
Descriptor: CALCIUM ION, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Zhang, Y, Looger, L.L.
Deposit date:2021-11-11
Release date:2022-11-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fast and sensitive GCaMP calcium indicators for imaging neural populations
Nature, 615, 2023
7SQA
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BU of 7sqa by Molmil
PPAR gamma LBD bound to SR10221 and SMRT corepressor motif
Descriptor: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Frkic, R.L, Pederick, J.L, Bruning, J.B.
Deposit date:2021-11-05
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles.
Acs Chem.Biol., 18, 2023
7SQB
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BU of 7sqb by Molmil
PPAR gamma LBD bound to Inverse Agonist SR10221
Descriptor: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Frkic, R.L, Pederick, J.L, Bruning, J.B.
Deposit date:2021-11-05
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles.
Acs Chem.Biol., 18, 2023
7V9Q
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BU of 7v9q by Molmil
Crystal structure of the lanthipeptide zinc-metallopeptidase EryP from saccharopolyspora erythraea in open state
Descriptor: Alanine aminopeptidase, ZINC ION
Authors:Zhao, C, Zhao, N.L, Bao, R.
Deposit date:2021-08-26
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Conformational remodeling enhances activity of lanthipeptide zinc-metallopeptidases.
Nat.Chem.Biol., 18, 2022
7V9O
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BU of 7v9o by Molmil
Crystal structure of the lanthipeptide zinc-metallopeptidase EryP mutant E802R from saccharopolyspora erythraea
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alanine aminopeptidase, ZINC ION
Authors:Zhao, C, Zhao, N.L, Bao, R.
Deposit date:2021-08-26
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Conformational remodeling enhances activity of lanthipeptide zinc-metallopeptidases.
Nat.Chem.Biol., 18, 2022
7V9N
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BU of 7v9n by Molmil
Crystal structure of the lanthipeptide zinc-metallopeptidase EryP from saccharopolyspora erythraea in closed state
Descriptor: ACETATE ION, Alanine aminopeptidase, CALCIUM ION, ...
Authors:Zhao, C, Zhao, N.L, Bao, R.
Deposit date:2021-08-26
Release date:2022-05-11
Last modified:2022-07-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational remodeling enhances activity of lanthipeptide zinc-metallopeptidases.
Nat.Chem.Biol., 18, 2022
7V9P
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BU of 7v9p by Molmil
Crystal structure of the lanthipeptide zinc-metallopeptidase EryP from saccharopolyspora erythraea in intermediate state
Descriptor: Alanine aminopeptidase, ZINC ION
Authors:Zhao, C, Zhao, N.L, Bao, R.
Deposit date:2021-08-26
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conformational remodeling enhances activity of lanthipeptide zinc-metallopeptidases.
Nat.Chem.Biol., 18, 2022
6LR1
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BU of 6lr1 by Molmil
Hexachlorobenzene Monooxygenase (HcbA1) from Nocardioides sp. strain PD653
Descriptor: Hexachlorobenzene oxidative dehalogenase
Authors:Guo, Y, Zheng, J.T, Zhou, N.Y.
Deposit date:2020-01-15
Release date:2020-01-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Hexachlorobenzene Monooxygenase Substrate Selectivity and Catalysis: Structural and Biochemical Insights.
Appl.Environ.Microbiol., 87, 2020
2LK4
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BU of 2lk4 by Molmil
Structural and mechanistic insights into the interaction between PAT Pyk2 and Paxillin LD motif
Descriptor: Protein-tyrosine kinase 2-beta
Authors:Vanarotti, M, Miller, D, Guibao, C, Zheng, J.
Deposit date:2011-10-04
Release date:2012-10-10
Last modified:2014-12-31
Method:SOLUTION NMR
Cite:Structural and Mechanistic Insights into the Interaction between Pyk2 and Paxillin LD Motifs.
J.Mol.Biol., 426, 2014
8G75
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BU of 8g75 by Molmil
SARS-CoV-2 spike/Nb4 complex with 2 RBDs up and 3 Nb4 bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-4, ...
Authors:Ye, G, Bu, F, Liu, B, Li, F.
Deposit date:2023-02-16
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19.
J.Virol., 97, 2023
8G74
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BU of 8g74 by Molmil
SARS-CoV-2 spike/Nb3 complex with 1 RBD up and 2 Nb3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-3, ...
Authors:Ye, G, Bu, F, Liu, B, Li, F.
Deposit date:2023-02-16
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19.
J.Virol., 97, 2023
8G73
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BU of 8g73 by Molmil
SARS-CoV-2 spike/Nb3 complex with 2 RBDs up and 3 Nb3 bound at 2.5 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-3, ...
Authors:Ye, G, Bu, F, Liu, B, Li, F.
Deposit date:2023-02-16
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19.
J.Virol., 97, 2023
8G72
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BU of 8g72 by Molmil
SARS-CoV-2 spike/Nb2 complex with 1 RBD up (local refinement at 5.6 A)
Descriptor: Nanosota-2, Spike glycoprotein
Authors:Ye, G, Bu, F, Liu, B, Li, F.
Deposit date:2023-02-16
Release date:2024-01-24
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19.
J.Virol., 97, 2023
8GUG
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BU of 8gug by Molmil
Structure of VPA0770 toxin bound to VPA0769 antitoxin in Vibrio parahaemolyticus
Descriptor: DUF2384 domain-containing protein, RES domain-containing protein
Authors:Song, X.J, Zhang, Y, Xu, Y.Y, Lin, Z.
Deposit date:2022-09-12
Release date:2023-07-26
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural insights of the toxin-antitoxin system VPA0770-VPA0769 in Vibrio parahaemolyticus.
Int.J.Biol.Macromol., 242, 2023
4P69
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BU of 4p69 by Molmil
Acek (D477A) ICDH complex
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Isocitrate dehydrogenase [NADP], ...
Authors:Jimin, Z, Nan, W, Shu, W, Zongchao, J.
Deposit date:2014-03-22
Release date:2014-10-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The phosphatase mechanism of bifunctional kinase/phosphatase AceK.
Chem. Commun. (Camb.), 50, 2014
8IAD
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BU of 8iad by Molmil
The Arabidopsis CLCa transporter bound with nitrate, ATP and PIP2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chloride channel protein CLC-a, MAGNESIUM ION, ...
Authors:Yang, Z, Zhang, X, Zhang, P.
Deposit date:2023-02-08
Release date:2023-08-02
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Molecular mechanism underlying regulation of Arabidopsis CLCa transporter by nucleotides and phospholipids.
Nat Commun, 14, 2023
8IAB
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BU of 8iab by Molmil
The Arabidopsis CLCa transporter bound with chloride, ATP and PIP2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Chloride channel protein CLC-a, ...
Authors:Yang, Z, Zhang, X, Zhang, P.
Deposit date:2023-02-08
Release date:2023-08-02
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Molecular mechanism underlying regulation of Arabidopsis CLCa transporter by nucleotides and phospholipids.
Nat Commun, 14, 2023

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