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9B7A
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BU of 9b7a by Molmil
Crystal structure of peroxiredoxin 1 with RA
Descriptor: (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, Peroxiredoxin-1
Authors:Wu, Y, Xu, H, Luo, C.
Deposit date:2024-03-27
Release date:2025-01-22
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Inhibited peroxidase activity of peroxiredoxin 1 by palmitic acid exacerbates nonalcoholic steatohepatitis in male mice.
Nat Commun, 16, 2025
8XGL
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BU of 8xgl by Molmil
Structure of the Magnaporthe oryzae effector NIS1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Necrosis-inducing secreted protein 1, ...
Authors:Han, R, Wang, D, Zhang, X, Liu, J.
Deposit date:2023-12-15
Release date:2024-09-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Understanding and manipulating the recognition of necrosis-inducing secreted protein 1 (NIS1) by BRI1-associated receptor kinase 1 (BAK1).
Int.J.Biol.Macromol., 278, 2024
5KNS
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BU of 5kns by Molmil
E coli hypoxanthine guanine phosphoribosyltransferase in complexed with 9-[(N-phosphonoethyl-N-phosphonoethoxyethyl)-2-aminoethyl]hypoxanthine
Descriptor: (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypoxanthine-guanine phosphoribosyltransferase, ...
Authors:Eng, W.S, Keough, D.T, Hockova, D, Janeba, Z.
Deposit date:2016-06-28
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.792 Å)
Cite:Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase
Chemistryselect, 1, 2016
5HJ2
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BU of 5hj2 by Molmil
Integrin alpha2beta1 I-domain
Descriptor: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Brown, K.L, Banerjee, S.
Deposit date:2016-01-12
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Salt-bridge modulates differential calcium-mediated ligand binding to integrin alpha 1- and alpha 2-I domains.
Sci Rep, 8, 2018
5KOP
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BU of 5kop by Molmil
Arabidopsis thaliana fucosyltransferase 1 (FUT1) in its apo-form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Galactoside 2-alpha-L-fucosyltransferase
Authors:Rocha, J, de Sanctis, D, Breton, C.
Deposit date:2016-07-01
Release date:2016-10-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Arabidopsis thaliana FUT1 Reveals a Variant of the GT-B Class Fold and Provides Insight into Xyloglucan Fucosylation.
Plant Cell, 28, 2016
8D3E
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BU of 8d3e by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-fluoroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 6-fluoroquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
7C5F
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BU of 7c5f by Molmil
Crystal Structure of Glyceraldehyde-3-phosphate dehydrogenase1 from Escherichia coli at 1.88 Angstrom resolution
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION
Authors:Zhang, L, Liu, M.R, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
Deposit date:2020-05-20
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Characterization and structure of glyceraldehyde-3-phosphate dehydrogenase type 1 from Escherichia coli.
Acta Crystallogr.,Sect.F, 76, 2020
8BVL
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BU of 8bvl by Molmil
Crystal structure of the IBR-RING2 domain of HOIL-1
Descriptor: RanBP-type and C3HC4-type zinc finger-containing protein 1, ZINC ION
Authors:Stieglitz, B, Koliopoulos, M.G, Rittinger, K.
Deposit date:2022-12-04
Release date:2023-01-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural basis for ubiquitylation by HOIL-1.
Front Mol Biosci, 9, 2022
8J5D
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BU of 8j5d by Molmil
Cryo-EM structure of starch degradation complex of BAM1-LSF1-MDH
Descriptor: Beta-amylase 1, chloroplastic, Malate dehydrogenase, ...
Authors:Guan, Z.Y, Liu, J, Yan, J.J.
Deposit date:2023-04-21
Release date:2024-01-10
Last modified:2025-07-23
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The LIKE SEX FOUR 1-malate dehydrogenase complex functions as a scaffold to recruit beta-amylase to promote starch degradation.
Plant Cell, 36, 2023
6ZHH
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BU of 6zhh by Molmil
Ca2+-ATPase from Listeria Monocytogenes with G4 insertion.
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase, ...
Authors:Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P.
Deposit date:2020-06-23
Release date:2021-05-19
Last modified:2025-10-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation.
J.Mol.Biol., 433, 2021
6FQY
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BU of 6fqy by Molmil
Plasmodium falciparum 6-phosphogluconate dehydrogenase in its apo form, in complex with its cofactor NADP+ and in complex with its substrate 6-phosphogluconate
Descriptor: 1,2-ETHANEDIOL, 6-phosphogluconate dehydrogenase, decarboxylating, ...
Authors:Fritz-Wolf, K, Haeussler, K, Reichmann, M, Rahlfs, S, Becker, K.
Deposit date:2018-02-15
Release date:2018-08-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Characterization of Plasmodium falciparum 6-Phosphogluconate Dehydrogenase as an Antimalarial Drug Target.
J. Mol. Biol., 430, 2018
6RMD
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BU of 6rmd by Molmil
Structure of ATP bound Plasmodium falciparum IMP-nucleotidase
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, IMP-specific 5'-nucleotidase, ...
Authors:Carrique, L, Ballut, L, Violot, S, Aghajari, N.
Deposit date:2019-05-06
Release date:2020-07-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase.
Nat Commun, 11, 2020
5DTP
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BU of 5dtp by Molmil
Crystal structure of M. tuberculosis EchA6 (apo, trigonal crystal form)
Descriptor: Probable enoyl-CoA hydratase echA6
Authors:Cox, J.A.G, Besra, G.S, Futterer, K.
Deposit date:2015-09-18
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
6FTP
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BU of 6ftp by Molmil
Crystal form 1 of Alpha1-antichymotrypsin variant DBS-II-allo: an allosterically modulated drug-binding serpin for doxorubicin
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, DOXORUBICIN
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2018-02-22
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
9B4U
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BU of 9b4u by Molmil
Crystal structure of p110alpha-RBD covalently bound to a breaker compound BBO-10203 via Cys242
Descriptor: 1-[(4R,8R)-2-[(4M,7P)-7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(1-methyl-1H-indazol-5-yl)thieno[3,2-c]pyridin-6-yl]-4-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]propan-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Czyzyk, D.J, Simanshu, D.K.
Deposit date:2024-03-21
Release date:2025-06-25
Last modified:2025-08-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:BBO-10203 inhibits tumor growth without inducing hyperglycemia by blocking RAS-PI3K alpha interaction.
Science, 389, 2025
8JD7
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BU of 8jd7 by Molmil
endo-1,3-fucanase GH174A
Descriptor: endo-1,3-fucanase
Authors:Chen, G.N, Chang, Y.G, Zhang, Y.Y.
Deposit date:2023-05-12
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of endo-1,3-fucanase at 1.60 Angstroms resolution.
To Be Published
5IBX
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BU of 5ibx by Molmil
1.65 Angstrom Crystal Structure of Triosephosphate Isomerase (TIM) from Streptococcus pneumoniae
Descriptor: SODIUM ION, Triosephosphate isomerase
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Flores, K, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-02-22
Release date:2016-03-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:1.65 Angstrom Crystal Structure of Triosephosphate Isomerase (TIM) from Streptococcus pneumoniae
To Be Published
6CQC
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BU of 6cqc by Molmil
RNase P protein from Thermotoga maritima in complex with 1-(4-Fluorophenyl)-2-thiourea
Descriptor: 1-(4-fluorophenyl)thiourea, Ribonuclease P protein component, SULFATE ION
Authors:Torres-Larios, A, Madrigal-Carrillo, E.A.
Deposit date:2018-03-14
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Discovery of novel RNase P inhibitors via an activity-binding-structure pipeline
To Be Published
8BJD
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BU of 8bjd by Molmil
Full length structure of LpMIP with bound inhibitor JK095
Descriptor: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
Deposit date:2022-11-04
Release date:2023-09-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
8BK5
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BU of 8bk5 by Molmil
A structure of the truncated LpMIP with bound inhibitor JK095.
Descriptor: (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase, SODIUM ION
Authors:Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
Deposit date:2022-11-08
Release date:2023-09-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
8F8Y
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BU of 8f8y by Molmil
PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2022-11-22
Release date:2023-01-18
Last modified:2023-02-08
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
9D6Z
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BU of 9d6z by Molmil
Crystal structure of Human Prostaglandin reductase 1 (PTGR1) in complex with methotrexate (Orthorhombic C form)
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-08-16
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of Human Prostaglandin reductase 1 (PTGR1) in complex with methotrexate (Orthorhombic C form)
To be published
9D6Y
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BU of 9d6y by Molmil
Crystal structure of Apo Human Prostaglandin reductase 1 (PTGR1) (Orthorhombic C form)
Descriptor: Prostaglandin reductase 1
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-08-16
Release date:2025-08-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of Apo Human Prostaglandin reductase 1 (PTGR1) (Orthorhombic C form)
To be published
9D71
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BU of 9d71 by Molmil
Crystal structure of Human Prostaglandin reductase 1 (PTGR1) in complex with methotrexate (P1 form)
Descriptor: METHOTREXATE, Prostaglandin reductase 1
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-08-16
Release date:2025-08-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Human Prostaglandin reductase 1 (PTGR1) in complex with methotrexate (P1 form)
To be published
9D6X
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BU of 9d6x by Molmil
Crystal structure of Human Prostaglandin reductase 1 (PTGR1) in complex with methotrexate (Monoclinic P form)
Descriptor: CHLORIDE ION, METHOTREXATE, Prostaglandin reductase 1
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-08-16
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Human Prostaglandin reductase 1 (PTGR1) in complex with methotrexate (Monoclinic P form)
To be published

242842

数据于2025-10-08公开中

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