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8H3U
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BU of 8h3u by Molmil
Inhibitor-bound EP, polyA model
Descriptor: Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
Authors:Ding, Z.Y, Huang, H.J.
Deposit date:2022-10-09
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
8GUP
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BU of 8gup by Molmil
Crystal structure of EsaG from Staphylococcus aureus
Descriptor: CITRIC ACID, Type VII secretion system protein EsaG
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2022-09-13
Release date:2022-11-09
Method:X-RAY DIFFRACTION (2.298725 Å)
Cite:A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
8GUO
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BU of 8guo by Molmil
Crystal structure of the nuclease domain of EsaD in complex with EsaG from Staphylococcus aureus
Descriptor: Type VII secretion system protein EsaG, Type VII secretion system protein EssD
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2022-09-13
Release date:2022-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5939517 Å)
Cite:A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
8H3S
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BU of 8h3s by Molmil
Substrate-bound EP, polyA model
Descriptor: Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain, Serine protease 1
Authors:Ding, Z.Y, Huang, H.J.
Deposit date:2022-10-09
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
2BQY
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BU of 2bqy by Molmil
Inorganic Pyrophosphatase from the Pathogenic Bacterium Helicobacter pylori-Kinetic and Structural Properties
Descriptor: INORGANIC PYROPHOSPHATASE, PYROPHOSPHATE 2-
Authors:Chao, T.-C, Sun, Y.-J.
Deposit date:2005-04-28
Release date:2006-10-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Kinetic and Structural Properties of Inorganic Pyrophosphatase from the Pathogenic Bacterium Helicobacter Pylori.
Proteins, 65, 2006
2BQX
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BU of 2bqx by Molmil
Inorganic Pyrophosphatase from the Pathogenic Bacterium Helicobacter pylori-Kinetic and Structural Properties
Descriptor: INORGANIC PYROPHOSPHATASE
Authors:Chao, T.-C, Sun, Y.-J.
Deposit date:2005-04-28
Release date:2006-10-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinetic and Structural Properties of Inorganic Pyrophosphatase from the Pathogenic Bacterium Helicobacter Pylori.
Proteins, 65, 2006
6AEJ
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BU of 6aej by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
Descriptor: (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
Authors:Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
Deposit date:2018-08-05
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
6AK4
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BU of 6ak4 by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
Descriptor: (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
Authors:Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
Deposit date:2018-08-30
Release date:2019-07-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
4CX4
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BU of 4cx4 by Molmil
Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Descriptor: 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CX1
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BU of 4cx1 by Molmil
Structure of bovine endothelial nitric oxide synthase L111A mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Descriptor: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CX5
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BU of 4cx5 by Molmil
Structure of rat neuronal nitric oxide synthase H341L mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-2-YL) PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Descriptor: 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CWZ
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BU of 4cwz by Molmil
Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Descriptor: 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CX0
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BU of 4cx0 by Molmil
Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex with 6-((((3S, 5R)-5-(((6-AMINO-4- METHYLPYRIDIN-2-YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL)-4- METHYLPYRIDIN-2-AMINE
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CX6
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BU of 4cx6 by Molmil
Structure of rat neuronal nitric oxide synthase H341L mutant heme domain in complex with 6-((((3S, 5R)-5-(((6-AMINO-4-METHYLPYRIDIN-2- YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CX2
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BU of 4cx2 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL) PYRROLIDIN-3-YL)OXY)PENTYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CWW
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BU of 4cww by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4-METHYLPYRIDIN-2-YL)PENTYL) OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Descriptor: 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CWY
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BU of 4cwy by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL) PYRROLIDIN-3-YL)OXY)PENTYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CX3
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BU of 4cx3 by Molmil
Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-2-YL) PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Descriptor: 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CX7
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BU of 4cx7 by Molmil
Structure of human iNOS heme domain in complex with (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE
Descriptor: (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CWV
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BU of 4cwv by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-2-YL)PENTYL)OXY) PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Descriptor: 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CWX
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BU of 4cwx by Molmil
ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE COMPLEX1
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-04-03
Release date:2014-08-13
Last modified:2022-12-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
6XDS
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BU of 6xds by Molmil
Crystal structure of MBP-TREM2 Ig domain fusion with fragment, 2-((4-bromophenyl)amino)ethan-1-ol
Descriptor: 2-[(4-bromophenyl)amino]ethan-1-ol, DIMETHYL SULFOXIDE, Sugar ABC transporter substrate-binding protein,Triggering receptor expressed on myeloid cells 2, ...
Authors:Su, H.P.
Deposit date:2020-06-11
Release date:2021-02-17
Method:X-RAY DIFFRACTION (1.466 Å)
Cite:Development of a robust crystallization platform for immune receptor TREM2 using a crystallization chaperone strategy.
Protein Expr.Purif., 179, 2021
4Q94
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BU of 4q94 by Molmil
human RPRD1B CID in complex with a RPB1-CTD derived Ser2 phosphorylated peptide
Descriptor: Regulation of nuclear pre-mRNA domain-containing protein 1B, SULFATE ION, UNKNOWN ATOM OR ION, ...
Authors:Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC)
Deposit date:2014-04-29
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation.
Nat.Struct.Mol.Biol., 21, 2014
8ITU
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BU of 8itu by Molmil
SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 IgG.
Descriptor: 1H1 heavy chain, 1H1 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
Deposit date:2023-03-23
Release date:2023-04-12
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants
Commun Biol, 6, 2023
8H00
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BU of 8h00 by Molmil
SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab in the class 1 conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
Deposit date:2022-09-27
Release date:2023-04-12
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants
Commun Biol, 6, 2023

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